Geometry & MOs

Info

ID:	35449
PubChem CID:	7979884
Reduced:	ClSN2O4H11C13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	378.107185
ΔH_f, kcal/mol:	-38.57
Dipole, Da:	3.38
IP(EA), eV:	-9.44(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations