Geometry & MOs

Info

ID:	250921
PubChem CID:	103100018
Reduced:	ClN2O2S3C13H13 (1)
Stoich.:	AB2C2D3E13F13 (1)
Weight, g/mol:	353.009318
ΔH_f, kcal/mol:	-16.46
Dipole, Da:	5.91
IP(EA), eV:	-8.61(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanethioamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N(C)C2=CC=CC(=C2)C(=S)N)Cl

DOS

IR

Vibrations