Geometry & MOs

Info

ID:

92437

PubChem CID:

49986200

Reduced:

N6O6C39H52 (1)

Stoich.:

A6B6C39D52 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-249.32

Dipole, Da:

6.31

IP(EA), eV:

 -9.1(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N6CCOCC6)C

DOS

IR

Vibrations