Geometry & MOs

Info

ID:	10108
PubChem CID:	97460
Reduced:	O2S2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	300.121772
ΔH_f, kcal/mol:	-100.92
Dipole, Da:	4.89
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-octylsulfanylsulfonylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations