Geometry & MOs

Info

ID:	401420
PubChem CID:	135051223
Reduced:	NOSH21C23 (1)
Stoich.:	ABCD21E23 (1)
Weight, g/mol:	193.956908
ΔH_f, kcal/mol:	43.8
Dipole, Da:	4.21
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-chloro-6-formylbenzenethiolate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN/C(=C/C(=O)C2=CC=CC=C2)/SCC3=CC=CC=C3

DOS

IR

Vibrations