Geometry & MOs

Info

ID:

118155

PubChem CID:

50631323

Reduced:

Cl3O4N5C28H34 (1)

Stoich.:

A3B4C5D28E34 (1)

Weight, g/mol:

653.11712

ΔHf, kcal/mol:

-176.98

Dipole, Da:

10.42

IP(EA), eV:

 -8.79(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-chloroanilino)-3-oxopropyl]-1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C(=CC=C3)Cl)Cl)Cl

DOS

IR

Vibrations