Geometry & MOs

Info

ID:	194021
PubChem CID:	78469342
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	402.138458
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	6.64
IP(EA), eV:	-9.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-(4-fluoroanilino)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)COC(=O)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations