Geometry & MOs

Info

ID:	149936
PubChem CID:	53789618
Reduced:	SO2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	424.406902
ΔH_f, kcal/mol:	-115.69
Dipole, Da:	5.6
IP(EA), eV:	-10.26(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]benzene

Drug info:

PubChemData

Smile

CCC1CC(C(S1(=O)=O)C)C

DOS

IR

Vibrations