Geometry & MOs

Info

ID:	738
PubChem CID:	3287
Reduced:	SN2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	166.05647
ΔH_f, kcal/mol:	41.39
Dipole, Da:	2.1
IP(EA), eV:	-9.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylpyridine-4-carboximidothioic acid

Drug info:

PubChemData

Smile

CCC1=NC=CC(=C1)C(=N)S

DOS

IR

Vibrations