Geometry & MOs

Info

ID:	225651
PubChem CID:	87219154
Reduced:	NO2C4H7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	216.006839
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	3.06
IP(EA), eV:	-9.98(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(E)-2-methyl-4-sulfopent-2-enoate

Drug info:

PubChemData

Smile

C1C(O1)CNC=O

DOS

IR

Vibrations