Geometry & MOs

Info

ID:

92883

PubChem CID:

49990300

Reduced:

SO4N5C35H47 (1)

Stoich.:

AB4C5D35E47 (1)

Weight, g/mol:

621.308183

ΔHf, kcal/mol:

-163.53

Dipole, Da:

5.1

IP(EA), eV:

 -8.35(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]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(=CC=C5)SC

DOS

IR

Vibrations