Geometry & MOs

Info

ID:	56134
PubChem CID:	17422099
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	302.030998
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	8.95
IP(EA), eV:	-9.68(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations