Geometry & MOs

Info

ID:	27496
PubChem CID:	821627
Reduced:	SO3N5H11C14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	246.057532
ΔH_f, kcal/mol:	95.14
Dipole, Da:	1.28
IP(EA), eV:	-8.84(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations