Geometry & MOs

Info

ID:	295815
PubChem CID:	117544865
Reduced:	SO2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	2.35
IP(EA), eV:	-8.66(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropane-1-thiol

Drug info:

PubChemData

Smile

CC(C)(CS)C1=CC2=C(C=C1)OCCO2

DOS

IR

Vibrations