Geometry & MOs

Info

ID:

111049

PubChem CID:

50350090

Reduced:

N5O6C31H41 (1)

Stoich.:

A5B6C31D41 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-224.02

Dipole, Da:

5.84

IP(EA), eV:

 -8.76(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)OC)OC)C(=O)N4CCCCC4

DOS

IR

Vibrations