Geometry & MOs

Info

ID:

118908

PubChem CID:

50663553

Reduced:

Cl2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

641.25356

ΔHf, kcal/mol:

-183.85

Dipole, Da:

3.53

IP(EA), eV:

 -8.54(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl)Cl

DOS

IR

Vibrations