Geometry & MOs

Info

ID:	318178
PubChem CID:	126649405
Reduced:	O10C15H22 (1)
Stoich.:	A10B15C22 (1)
Weight, g/mol:	242.097666
ΔH_f, kcal/mol:	-426.41
Dipole, Da:	3.85
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenesulfonic acid;cyclohexane

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OCC(C(C(C(C(CO)O)O)O)O)O)O

DOS

IR

Vibrations