Geometry & MOs

Info

ID:

96242

PubChem CID:

50019476

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-223.97

Dipole, Da:

7.71

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations