Geometry & MOs

Info

ID:	380994
PubChem CID:	134971616
Reduced:	OSN4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	248.102453
ΔH_f, kcal/mol:	63.4
Dipole, Da:	8.11
IP(EA), eV:	-9.45(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(1S)-6-(3-hydroxy-3-methylbutanoyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)SCC2=CC(=O)NN2)C#N

DOS

IR

Vibrations