Geometry & MOs

Info

ID:

104010

PubChem CID:

50086900

Reduced:

ClN6O6C39H45 (1)

Stoich.:

AB6C6D39E45 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-212.75

Dipole, Da:

7.09

IP(EA), eV:

 -8.67(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations