Geometry & MOs

Info

ID:

111926

PubChem CID:

50386991

Reduced:

N6O6C39H52 (1)

Stoich.:

A6B6C39D52 (1)

Weight, g/mol:

698.415569

ΔHf, kcal/mol:

-255.5

Dipole, Da:

7.41

IP(EA), eV:

 -8.76(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCOCC6)C

DOS

IR

Vibrations