Geometry & MOs

Info

ID:

108970

PubChem CID:

50266602

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

669.251811

ΔHf, kcal/mol:

-197.01

Dipole, Da:

7.66

IP(EA), eV:

 -8.73(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations