Geometry & MOs

Info

ID:

120508

PubChem CID:

50730735

Reduced:

ClFO4N5H33C35 (1)

Stoich.:

ABC4D5E33F35 (1)

Weight, g/mol:

645.195439

ΔHf, kcal/mol:

-138.75

Dipole, Da:

3.51

IP(EA), eV:

 -8.86(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(2,6-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=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