Geometry & MOs

Info

ID:	231824
PubChem CID:	87574729
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	227.991486
ΔH_f, kcal/mol:	-97.26
Dipole, Da:	3.32
IP(EA), eV:	-10.16(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzothiophene-4-sulfonate

Drug info:

PubChemData

Smile

CC12CC(CC1O2)C(=O)OCC=C

DOS

IR

Vibrations