Geometry & MOs

Info

ID:

116543

PubChem CID:

50565091

Reduced:

Cl2O5N6C35H48 (1)

Stoich.:

A2B5C6D35E48 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-251.91

Dipole, Da:

12.41

IP(EA), eV:

 -8.8(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations