Geometry & MOs

Info

ID:

114864

PubChem CID:

50499840

Reduced:

FN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

649.22226

ΔHf, kcal/mol:

-246.1

Dipole, Da:

7.34

IP(EA), eV:

 -8.5(-0.45)

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-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C)C)F

DOS

IR

Vibrations