Geometry & MOs

Info

ID:	37139
PubChem CID:	8017349
Reduced:	SN4O4H10C12 (1)
Stoich.:	AB4C4D10E12 (1)
Weight, g/mol:	364.098343
ΔH_f, kcal/mol:	12.69
Dipole, Da:	5.27
IP(EA), eV:	-9.3(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations