Geometry & MOs

Info

ID:

181099

PubChem CID:

76715611

Reduced:

SN2O5C35H40 (1)

Stoich.:

AB2C5D35E40 (1)

Weight, g/mol:

796.296442

ΔHf, kcal/mol:

-131.12

Dipole, Da:

0.96

IP(EA), eV:

 -8.9(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-(6-methoxy-3-thiophen-2-ylquinoxalin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)OC

DOS

IR

Vibrations