Geometry & MOs

Info

ID:

110734

PubChem CID:

50338330

Reduced:

F2O4N5H33C35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-172.44

Dipole, Da:

6.82

IP(EA), eV:

 -8.83(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations