Geometry & MOs

Info

ID:	13555
PubChem CID:	301128
Reduced:	SH3N5C6 (1)
Stoich.:	AB3C5D6 (1)
Weight, g/mol:	177.010916
ΔH_f, kcal/mol:	128.77
Dipole, Da:	5.66
IP(EA), eV:	-9.94(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-sulfanylpyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

Drug info:

PubChemData

Smile

C1=NN2C(=C1C#N)N=CN=C2S

DOS

IR

Vibrations