Geometry & MOs

Info

ID:	168200
PubChem CID:	74936640
Reduced:	KNS2O4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	311.0286
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	8.7
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-sulfooxynaphthalene-1-carboximidothioate

Drug info:

PubChemData

Smile

CCSC(=NOS(=O)(=O)[O-])C1=CC=CC2=CC=CC=C21.[K+]

DOS

IR

Vibrations