Geometry & MOs

Info

ID:	39674
PubChem CID:	8141839
Reduced:	NSO3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	376.122808
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	5.22
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)C2=C(C3=C(O2)C=CC(=C3)OC)C

DOS

IR

Vibrations