Geometry & MOs

Info

ID:	278421
PubChem CID:	103835579
Reduced:	ClNS2O4C12H18 (1)
Stoich.:	ABC2D4E12F18 (1)
Weight, g/mol:	331.058186
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	1.39
IP(EA), eV:	-8.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,1-dioxothiane-4-sulfonamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=C(C=C(C=C1)Cl)OC)(CSC)O

DOS

IR

Vibrations