Geometry & MOs

Info

ID:	28575
PubChem CID:	828418
Reduced:	FNSO2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	333.104418
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	2.7
IP(EA), eV:	-8.9(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-(2-fluorophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations