Geometry & MOs

Info

ID:	120676
PubChem CID:	50739979
Reduced:	O2S2N4H8C9 (1)
Stoich.:	A2B2C4D8E9 (1)
Weight, g/mol:	296.040168
ΔH_f, kcal/mol:	41.14
Dipole, Da:	1.51
IP(EA), eV:	-8.57(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CSC1=NN=C(S1)NC(=O)C2=CC=[N+](C=C2)[O-]

DOS

IR

Vibrations