Geometry & MOs

Info

ID:	138591
PubChem CID:	52389860
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	359.038491
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	4.8
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-ethylsulfanyl-6-[2-(thiadiazole-4-carbonylamino)phenyl]-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)NC2=CC=CC=C2/C=C/C3=NC4=C(C=CC=C4O)C=C3

DOS

IR

Vibrations