Geometry & MOs

Info

ID:

107536

PubChem CID:

50207751

Reduced:

O4N5C32H37 (1)

Stoich.:

A4B5C32D37 (1)

Weight, g/mol:

607.23616

ΔHf, kcal/mol:

-128.39

Dipole, Da:

6.56

IP(EA), eV:

 -8.4(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations