Geometry & MOs

Info

ID:

96099

PubChem CID:

50018886

Reduced:

FO4N5C38H40 (1)

Stoich.:

AB4C5D38E40 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-148.87

Dipole, Da:

10.12

IP(EA), eV:

 -8.84(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations