Geometry & MOs

Info

ID:	163125
PubChem CID:	57646420
Reduced:	O5N8C30H46 (1)
Stoich.:	A5B8C30D46 (1)
Weight, g/mol:	1722.091997
ΔH_f, kcal/mol:	-217.61
Dipole, Da:	11.51
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,12S,15S,18S,21R,24S,26R)-21-benzyl-3-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-6-(diaminomethylideneamino)-2-[[(2S)-2-[[(1S,2S)-2-[[2-(hexadecanoylamino)acetyl]amino]-1,3-dihydroxypropyl]amino]-3-hydroxypropanoyl]amino]-1-hydroxyhexyl]amino]-1,3-dihydroxybutyl]amino]-1-hydroxyhexyl]amino]-18-[3-(diaminomethylideneamino)propyl]-2,26-dihydroxy-15-(1H-indol-3-ylmethyl)-6,14,17,20,23-pentaoxo-1,7,13,16,19,22-hexazabicyclo[22.3.0]heptacosane-12-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):