Geometry & MOs

Info

ID:

91151

PubChem CID:

49973700

Reduced:

N5O5C32H41 (1)

Stoich.:

A5B5C32D41 (1)

Weight, g/mol:

629.217175

ΔHf, kcal/mol:

-184.5

Dipole, Da:

6.07

IP(EA), eV:

 -8.68(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations