Geometry & MOs

Info

ID:	250922
PubChem CID:	103100020
Reduced:	ClO2N3S3C11H16 (1)
Stoich.:	AB2C3D3E11F16 (1)
Weight, g/mol:	323.982769
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	3.12
IP(EA), eV:	-8.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbothioamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCN(CC2)CC(=S)N)Cl

DOS

IR

Vibrations