Geometry & MOs

Info

ID:	412217
PubChem CID:	135085100
Reduced:	C4H5 (5)
Stoich.:	A4B5 (5)
Weight, g/mol:	290.137422
ΔH_f, kcal/mol:	45.13
Dipole, Da:	0.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.023295
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfinylethylsulfinylcyclohexane

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C[C]=C(C=C2)C(C)(C)C

DOS

IR

Vibrations