Geometry & MOs

Info

ID:

112887

PubChem CID:

50424542

Reduced:

FO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-223.66

Dipole, Da:

8.92

IP(EA), eV:

 -8.79(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)CC

DOS

IR

Vibrations