Geometry & MOs

Info

ID:

98363

PubChem CID:

50043124

Reduced:

N6O6C39H46 (1)

Stoich.:

A6B6C39D46 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-200.73

Dipole, Da:

12.55

IP(EA), eV:

 -8.55(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N6CCOCC6

DOS

IR

Vibrations