Geometry & MOs

Info

ID:	27244
PubChem CID:	819881
Reduced:	OSH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	214.045236
ΔH_f, kcal/mol:	25.55
Dipole, Da:	4.62
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9bS)-3a,9b-dihydrobenzo[g][1]benzothiole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2[C@H]3[C@H](C=CC2=C1)C=C(S3)C=O

DOS

IR

Vibrations