Geometry & MOs

Info

ID:	20071
PubChem CID:	578503
Reduced:	SN8C10H12 (1)
Stoich.:	AB8C10D12 (1)
Weight, g/mol:	276.090564
ΔH_f, kcal/mol:	183.99
Dipole, Da:	7.46
IP(EA), eV:	-9.13(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylpyrazol-1-yl)-3-ethylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

Drug info:

PubChemData

Smile

CCSC1=NN=C2N1N=C(N=N2)N3C(=CC(=N3)C)C

DOS

IR

Vibrations