Geometry & MOs

Info

ID:	120678
PubChem CID:	50739981
Reduced:	SO3N4C10H10 (1)
Stoich.:	AB3C4D10E10 (1)
Weight, g/mol:	292.063011
ΔH_f, kcal/mol:	5.22
Dipole, Da:	6.23
IP(EA), eV:	-9.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NN=C(S1)NC(=O)C2=CC=[N+](C=C2)[O-]

DOS

IR

Vibrations