Geometry & MOs

Info

ID:	278431
PubChem CID:	103835664
Reduced:	N2S2O5C12H18 (1)
Stoich.:	A2B2C5D12E18 (1)
Weight, g/mol:	342.987041
ΔH_f, kcal/mol:	-120.55
Dipole, Da:	7.24
IP(EA), eV:	-8.59(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)NCC(C)(CSC)O

DOS

IR

Vibrations