Geometry & MOs

Info

ID:	389550
PubChem CID:	134993642
Reduced:	P2S2O3C8H20 (1)
Stoich.:	A2B2C3D8E20 (1)
Weight, g/mol:	124.125201
ΔH_f, kcal/mol:	-283.41
Dipole, Da:	2.09
IP(EA), eV:	-9.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1,5,5-trimethylbicyclo[2.1.1]hexane

Drug info:

PubChemData

Smile

CCCSP(=O)(C)OP(=O)(C)SCCC

DOS

IR

Vibrations