Geometry & MOs

Info

ID:	101273
PubChem CID:	50064532
Reduced:	FO5N6C39H41 (1)
Stoich.:	AB5C6D39E41 (1)
Weight, g/mol:	696.287175
ΔH_f, kcal/mol:	-197.58
Dipole, Da:	13.08
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-bis[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations