Geometry & MOs

Info

ID:

99525

PubChem CID:

50050997

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-193.93

Dipole, Da:

13.86

IP(EA), eV:

 -8.52(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]phenyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NCC(C)C

DOS

IR

Vibrations