Geometry & MOs

Info

ID:	20274
PubChem CID:	582895
Reduced:	SN2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	326.065989
ΔH_f, kcal/mol:	137.27
Dipole, Da:	2.09
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithiol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2N=C(N3N2C(=NC3C4=CC=CC=C4)S)S

DOS

IR

Vibrations