Geometry & MOs

Info

ID:	232243
PubChem CID:	87575804
Reduced:	ClISO4C6H10 (1)
Stoich.:	ABCD4E6F10 (1)
Weight, g/mol:	227.991486
ΔH_f, kcal/mol:	-148.19
Dipole, Da:	4.06
IP(EA), eV:	-10.16(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzothiophene-5-sulfonate

Drug info:

PubChemData

Smile

C1C([C@@]1(CC(CO)O)S(=O)(=O)Cl)I

DOS

IR

Vibrations