Geometry & MOs

Info

ID:

220216

PubChem CID:

85165373

Reduced:

S4O7C32H50 (1)

Stoich.:

A4B7C32D50 (1)

Weight, g/mol:

674.227153

ΔHf, kcal/mol:

-324.64

Dipole, Da:

6.28

IP(EA), eV:

 -8.68(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-amino-2-oxoethyl)-N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-4-phenylbutan-2-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CC1COC(O1)(C)C)C2C3(C(OC(O2)C4=CC=C(C=C4)OC)CC(CC(C)C5(SCCS5)C)OCOC)SCCS3

DOS

IR

Vibrations