Geometry & MOs

Info

ID:

100477

PubChem CID:

50061735

Reduced:

FO4N5C39H42 (1)

Stoich.:

AB4C5D39E42 (1)

Weight, g/mol:

683.267461

ΔHf, kcal/mol:

-163.72

Dipole, Da:

5.0

IP(EA), eV:

 -8.36(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)C

DOS

IR

Vibrations