Geometry & MOs

Info

ID:

113975

PubChem CID:

50466795

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

643.240639

ΔHf, kcal/mol:

-224.2

Dipole, Da:

3.45

IP(EA), eV:

 -9.0(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations