Geometry & MOs

Info

ID:	48037
PubChem CID:	10536742
Reduced:	ON5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	217.030983
ΔH_f, kcal/mol:	41.89
Dipole, Da:	1.65
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-4-oxido-1,2,4-thiadiazol-4-ium-5-carbonitrile

Drug info:

PubChemData

Smile

C1C(=O)C2=C(NC=N1)N=CN2CCCC#N

DOS

IR

Vibrations