Geometry & MOs

Info

ID:

116275

PubChem CID:

50554197

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-233.07

Dipole, Da:

7.76

IP(EA), eV:

 -8.87(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations