Geometry & MOs

Info

ID:

181138

PubChem CID:

76715650

Reduced:

SN3O6C40H47 (1)

Stoich.:

AB3C6D40E47 (1)

Weight, g/mol:

701.324705

ΔHf, kcal/mol:

-159.7

Dipole, Da:

8.99

IP(EA), eV:

 -9.14(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-(3-ethylimidazo[4,5-c]pyridin-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(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC=CC6=CC=CC=C65)CCC7=CC=CC=C7

DOS

IR

Vibrations