Geometry & MOs

Info

ID:

113929

PubChem CID:

50464936

Reduced:

O3N4C32H38 (1)

Stoich.:

A3B4C32D38 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-101.5

Dipole, Da:

6.18

IP(EA), eV:

 -8.7(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)C)C)C

DOS

IR

Vibrations