Geometry & MOs

Info

ID:

92846

PubChem CID:

49989935

Reduced:

Cl2O4N5C33H41 (1)

Stoich.:

A2B4C5D33E41 (1)

Weight, g/mol:

603.34207

ΔHf, kcal/mol:

-176.81

Dipole, Da:

10.38

IP(EA), eV:

 -8.85(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations