Geometry & MOs

Info

ID:	231814
PubChem CID:	87574710
Reduced:	SnS6C12H23 (1)
Stoich.:	AB6C12D23 (1)
Weight, g/mol:	212.01433
ΔH_f, kcal/mol:	-9.35
Dipole, Da:	1.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761945
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzofuran-6-sulfonate

Drug info:

PubChemData

Smile

CCC(SC(C)C)S[Sn](SC1CCS1)SC2CCS2

DOS

IR

Vibrations