Geometry & MOs

Info

ID:	67701
PubChem CID:	46507001
Reduced:	SO2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	321.95239
ΔH_f, kcal/mol:	19.53
Dipole, Da:	6.03
IP(EA), eV:	-8.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-bromophenyl)-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C=CN3C(=NNC3=S)C2=O

DOS

IR

Vibrations