Geometry & MOs

Info

ID:	387823
PubChem CID:	134987056
Reduced:	SO3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	194.014999
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	6.4
IP(EA), eV:	-9.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-thiocyanatopyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCSC1=CC(=O)C2=C(O1)C=C(C=C2)OCC

DOS

IR

Vibrations