Geometry & MOs

Info

ID:

96094

PubChem CID:

50018869

Reduced:

FO3N4C32H37 (1)

Stoich.:

AB3C4D32E37 (1)

Weight, g/mol:

675.298761

ΔHf, kcal/mol:

-144.52

Dipole, Da:

7.29

IP(EA), eV:

 -8.65(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations