Geometry & MOs

Info

ID:

110663

PubChem CID:

50334592

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-214.81

Dipole, Da:

0.94

IP(EA), eV:

 -8.79(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)C

DOS

IR

Vibrations