Geometry & MOs

Info

ID:	339212
PubChem CID:	127260591
Reduced:	SO3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	1.01
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dienyl]-1,3,3-trimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(=O)OC(OC)SC1=CC=CC=C1

DOS

IR

Vibrations