Geometry & MOs

Info

ID:	396543
PubChem CID:	135028707
Reduced:	OSiC20H36 (1)
Stoich.:	ABC20D36 (1)
Weight, g/mol:	258.071451
ΔH_f, kcal/mol:	-125.1
Dipole, Da:	1.72
IP(EA), eV:	-8.7(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-hydroxy-1-methyl-2-propan-2-ylidenecyclopenta[b][1]benzothiol-3-one

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OCC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations