Geometry & MOs

Info

ID:

110149

PubChem CID:

50313648

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-215.12

Dipole, Da:

5.06

IP(EA), eV:

 -8.15(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations