Geometry & MOs

Info

ID:

116015

PubChem CID:

50543819

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

734.299489

ΔHf, kcal/mol:

-219.45

Dipole, Da:

12.89

IP(EA), eV:

 -8.69(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations