Geometry & MOs

Info

ID:	120679
PubChem CID:	50739982
Reduced:	SO3N4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	358.055818
ΔH_f, kcal/mol:	-2.8
Dipole, Da:	5.1
IP(EA), eV:	-9.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-oxidopyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NN=C(S2)NC(=O)C3=CC=[N+](C=C3)[O-]

DOS

IR

Vibrations