Geometry & MOs

Info

ID:	215841
PubChem CID:	85085331
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.040151
ΔH_f, kcal/mol:	-133.16
Dipole, Da:	2.1
IP(EA), eV:	-9.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3a,7a-tetrahydro-2-benzothiophene 2,2-dioxide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)CCC(=O)OC

DOS

IR

Vibrations