Geometry & MOs

Info

ID:

118962

PubChem CID:

50664875

Reduced:

Cl2O4N5C32H39 (1)

Stoich.:

A2B4C5D32E39 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-172.66

Dipole, Da:

9.87

IP(EA), eV:

 -9.02(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(methylcarbamoyl)phenyl]-1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations