Geometry & MOs

Info

ID:

117935

PubChem CID:

50621106

Reduced:

ClO3N4C31H35 (1)

Stoich.:

AB3C4D31E35 (1)

Weight, g/mol:

570.160074

ΔHf, kcal/mol:

-98.63

Dipole, Da:

8.2

IP(EA), eV:

 -8.84(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations