Geometry & MOs

Info

ID:	340392
PubChem CID:	127262403
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	254.097666
ΔH_f, kcal/mol:	-163.7
Dipole, Da:	7.31
IP(EA), eV:	-10.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexylmethyl benzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC=C1C2(CCCCC2)CO)C(=O)O

DOS

IR

Vibrations