Geometry & MOs

Info

ID:	284654
PubChem CID:	104057192
Reduced:	ClO2S2N4C12H13 (1)
Stoich.:	AB2C2D4E12F13 (1)
Weight, g/mol:	347.052897
ΔH_f, kcal/mol:	1.44
Dipole, Da:	4.56
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3,4-dimethylpiperazin-1-yl)sulfonylbenzenecarbothioamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNS(=O)(=O)C2=C(C=C(C=C2)C(=S)N)Cl

DOS

IR

Vibrations