Geometry & MOs

Info

ID:	250919
PubChem CID:	103099981
Reduced:	ClN2S2O3H11C13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	337.998419
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	4.6
IP(EA), eV:	-8.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-cyclopropylamino]propanethioamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=C(C=C(C=C2)C#N)OC)Cl

DOS

IR

Vibrations