Geometry & MOs

Info

ID:

93290

PubChem CID:

49992976

Reduced:

N3O3C21H29 (2)

Stoich.:

A3B3C21D29 (2)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-274.83

Dipole, Da:

7.43

IP(EA), eV:

 -8.32(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2-fluorobenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6CCCCC6

DOS

IR

Vibrations