Geometry & MOs

Info

ID:

220052

PubChem CID:

85165188

Reduced:

ClN2O6C37H37 (1)

Stoich.:

AB2C6D37E37 (1)

Weight, g/mol:

640.200796

ΔHf, kcal/mol:

-188.62

Dipole, Da:

1.76

IP(EA), eV:

 -8.73(-0.55)

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-chlorophenyl)methyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1(C2(CCC1(OC2=O)C(=O)OC3CN(CCC3C4=C(NC5=C4C=CC(=C5)Cl)C6=CC=CC=C6)C(=O)OCC7=CC=CC=C7)C)C

DOS

IR

Vibrations