Geometry & MOs

Info

ID:	167704
PubChem CID:	74860221
Reduced:	SO4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	254.06128
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	6.58
IP(EA), eV:	-9.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-but-2-enylsulfonyl-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC=CCS(=O)(=O)C1=C(C(=CC(=C1)C(=O)O)C)C

DOS

IR

Vibrations