Geometry & MOs

Info

ID:	326556
PubChem CID:	126687772
Reduced:	N3O6C27H43 (1)
Stoich.:	A3B6C27D43 (1)
Weight, g/mol:	981.553519
ΔH_f, kcal/mol:	-289.36
Dipole, Da:	8.41
IP(EA), eV:	-9.47(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,11S,14S)-14-[[2-[[(2S)-2-amino-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dihydroxy-N-[2-hydroxy-3-(methylamino)-3-oxopropyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-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

CCCCCCCCCCC(=O)N(C)[C@H](COCC1=CC=CC=C1)C(=O)N[C@H](C)C(=O)NCC(=O)O

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

CCCCCCCCCCC(=O)N(C)[C@H](COCC1=CC=CC=C1)C(=O)N[C@H](C)C(=O)NCC(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):