Geometry & MOs

Info

ID:	21788
PubChem CID:	590083
Reduced:	SC17H22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	258.144222
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	1.39
IP(EA), eV:	-8.74(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,10-dimethyl-4,5,7,8,8a,8b,9,10-octahydro-3bH-indeno[4,5-g][1]benzothiole

Drug info:

PubChemData

Smile

CC1CC2C3CCC(=C3CCC2C4=C1C=CS4)C

DOS

IR

Vibrations