Geometry & MOs

Info

ID:

116203

PubChem CID:

50550831

Reduced:

Cl2O4N5C28H33 (1)

Stoich.:

A2B4C5D28E33 (1)

Weight, g/mol:

706.243724

ΔHf, kcal/mol:

-151.75

Dipole, Da:

10.89

IP(EA), eV:

 -8.96(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(phenylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations