Geometry & MOs

Info

ID:	232502
PubChem CID:	87576330
Reduced:	SO5C7H10 (1)
Stoich.:	AB5C7D10 (1)
Weight, g/mol:	206.024895
ΔH_f, kcal/mol:	-184.97
Dipole, Da:	3.75
IP(EA), eV:	-10.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sulfo (2E)-2-methylhexa-2,5-dienoate

Drug info:

PubChemData

Smile

C/C(=C\S(=O)(=O)O)/C(=O)OCC=C

DOS

IR

Vibrations