Geometry & MOs

Info

ID:

118183

PubChem CID:

50632273

Reduced:

Cl2O5N6C40H40 (1)

Stoich.:

A2B5C6D40E40 (1)

Weight, g/mol:

740.228074

ΔHf, kcal/mol:

-153.39

Dipole, Da:

8.22

IP(EA), eV:

 -8.49(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-chlorophenyl)-1-[1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6)Cl

DOS

IR

Vibrations