Geometry & MOs

Info

ID:	177439
PubChem CID:	76185751
Reduced:	N2O2S2C9H12 (1)
Stoich.:	A2B2C2D9E12 (1)
Weight, g/mol:	207.065734
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	4.91
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-carboxyethenyl)-6-ethoxyphenolate

Drug info:

PubChemData

Smile

CCC(C1S(=O)CCS1=O)C(C#N)C#N

DOS

IR

Vibrations