Geometry & MOs

Info

ID:	415354
PubChem CID:	135088348
Reduced:	ClN2O2C20H29 (1)
Stoich.:	AB2C2D20E29 (1)
Weight, g/mol:	755.400647
ΔH_f, kcal/mol:	-93.46
Dipole, Da:	3.64
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,6S,9R,12S,19S,21R)-21-hydroxy-6-(1H-indol-3-ylmethyl)-9-methyl-3-(2-methylpropyl)-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2,3-dihydro-1H-indene-2-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

CO[C@@H]1CCC[C@]12CCCN(C2)CCC(=O)NCC3=CC=C(C=C3)Cl

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

CO[C@@H]1CCC[C@]12CCCN(C2)CCC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):