Geometry & MOs

Info

ID:

93067

PubChem CID:

49991316

Reduced:

Cl2O3N4C29H36 (1)

Stoich.:

A2B3C4D29E36 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-137.63

Dipole, Da:

5.62

IP(EA), eV:

 -8.93(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylpropanoylamino)phenyl]-1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations