Geometry & MOs

Info

ID:

95433

PubChem CID:

50009300

Reduced:

N3O3C17H24 (2)

Stoich.:

A3B3C17D24 (2)

Weight, g/mol:

553.245582

ΔHf, kcal/mol:

-264.79

Dipole, Da:

3.75

IP(EA), eV:

 -8.1(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C)OC

DOS

IR

Vibrations