Geometry & MOs

Info

ID:

116686

PubChem CID:

50571950

Reduced:

Cl2O5N6C38H50 (1)

Stoich.:

A2B5C6D38E50 (1)

Weight, g/mol:

766.337624

ΔHf, kcal/mol:

-242.71

Dipole, Da:

6.81

IP(EA), eV:

 -8.57(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexanecarbonylamino)phenyl]-1-[1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations