Geometry & MOs

Info

ID:	27243
PubChem CID:	819878
Reduced:	OSH10C13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	214.045236
ΔH_f, kcal/mol:	25.57
Dipole, Da:	4.61
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9bR)-3a,9b-dihydrobenzo[g][1]benzothiole-2-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations