Geometry & MOs

Info

ID:	391626
PubChem CID:	135007299
Reduced:	S2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-169.63
Dipole, Da:	3.27
IP(EA), eV:	-8.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methyl-2-(4-methylphenyl)sulfonyl-1,3,7,7a-tetrahydroisoindole-5-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)(CO)S[S@](=O)C2(CCCCC2)CO

DOS

IR

Vibrations