Geometry & MOs

Info

ID:

116375

PubChem CID:

50558501

Reduced:

Cl2O5N6C38H42 (1)

Stoich.:

A2B5C6D38E42 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-183.93

Dipole, Da:

5.72

IP(EA), eV:

 -8.44(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-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)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCCC6)Cl

DOS

IR

Vibrations