Geometry & MOs

Info

ID:

113974

PubChem CID:

50466763

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

643.240639

ΔHf, kcal/mol:

-263.51

Dipole, Da:

7.1

IP(EA), eV:

 -8.92(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(4-fluorobenzoyl)amino]phenyl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations