Geometry & MOs

Info

ID:	250951
PubChem CID:	103100324
Reduced:	ClN2S2O3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	321.984877
ΔH_f, kcal/mol:	-113.43
Dipole, Da:	7.16
IP(EA), eV:	-9.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperazine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCC3(CC2)CC(=O)NC3)Cl

DOS

IR

Vibrations