Geometry & MOs

Info

ID:

100733

PubChem CID:

50063843

Reduced:

ClFO4N5C34H37 (1)

Stoich.:

ABC4D5E34F37 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-177.9

Dipole, Da:

10.02

IP(EA), eV:

 -8.74(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations