Geometry & MOs

Info

ID:	14698
PubChem CID:	418065
Reduced:	S2C11H23 (1)
Stoich.:	A2B11C23 (1)
Weight, g/mol:	220.131943
ΔH_f, kcal/mol:	-27.71
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753487
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-(2-methylsulfanylcyclooctyl)-lambda4-sulfane

Drug info:

PubChemData

Smile

CSC1CCCCCCC1S(C)C

DOS

IR

Vibrations