Geometry & MOs

Info

ID:	284650
PubChem CID:	104057041
Reduced:	ClN2S2O3C11H15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	348.036913
ΔH_f, kcal/mol:	-89.72
Dipole, Da:	1.87
IP(EA), eV:	-9.03(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylbenzenecarbothioamide

Drug info:

PubChemData

Smile

CN(CCOC)S(=O)(=O)C1=CC(=C(C=C1)C(=S)N)Cl

DOS

IR

Vibrations