Geometry & MOs

Info

ID:

116851

PubChem CID:

50578297

Reduced:

Cl2O4N5C33H41 (1)

Stoich.:

A2B4C5D33E41 (1)

Weight, g/mol:

655.26921

ΔHf, kcal/mol:

-187.75

Dipole, Da:

5.3

IP(EA), eV:

 -9.02(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-chloro-5-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl)Cl

DOS

IR

Vibrations