Geometry & MOs

Info

ID:	382868
PubChem CID:	134974266
Reduced:	SC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	292.128572
ΔH_f, kcal/mol:	25.08
Dipole, Da:	2.15
IP(EA), eV:	-8.32(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-methyl-6,7,8,9-tetrahydrobenzo[e][1]benzothiole

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)C(C)(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations