Geometry & MOs

Info

ID:

181143

PubChem CID:

76715655

Reduced:

SN5O8C38H55 (1)

Stoich.:

AB5C8D38E55 (1)

Weight, g/mol:

700.329456

ΔHf, kcal/mol:

-326.97

Dipole, Da:

4.24

IP(EA), eV:

 -8.51(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-(1-ethylbenzimidazol-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=CC2=C(C=C1)N=C(N2C(C)C)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)N(C)C

DOS

IR

Vibrations