Geometry & MOs

Info

ID:

120518

PubChem CID:

50731223

Reduced:

ClFO4N5H33C35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

627.20486

ΔHf, kcal/mol:

-137.06

Dipole, Da:

6.11

IP(EA), eV:

 -8.83(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-benzamido-2-fluorophenyl)-1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations