Geometry & MOs

Info

ID:

116118

PubChem CID:

50548003

Reduced:

ClN5O5C36H42 (1)

Stoich.:

AB5C5D36E42 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-171.43

Dipole, Da:

14.62

IP(EA), eV:

 -8.48(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)Cl

DOS

IR

Vibrations