Geometry & MOs

Info

ID:	379889
PubChem CID:	134963729
Reduced:	SO5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	232.022787
ΔH_f, kcal/mol:	-199.46
Dipole, Da:	5.95
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propylsulfanylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C)\OS(=O)(=O)C1=CC=C(C=C1)C)/C

DOS

IR

Vibrations