Geometry & MOs

Info

ID:	204985
PubChem CID:	80039641
Reduced:	S2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	294.111208
ΔH_f, kcal/mol:	9.79
Dipole, Da:	2.69
IP(EA), eV:	-8.45(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)oxan-4-yl]methanethiol

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)SCCS

DOS

IR

Vibrations