Geometry & MOs

Info

ID:

118964

PubChem CID:

50664877

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-181.8

Dipole, Da:

2.3

IP(EA), eV:

 -8.46(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-[(3-fluorobenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations