Geometry & MOs

Info

ID:	160572
PubChem CID:	57389089
Reduced:	SO3N6C8H8 (1)
Stoich.:	AB3C6D8E8 (1)
Weight, g/mol:	346.051795
ΔH_f, kcal/mol:	41.44
Dipole, Da:	7.02
IP(EA), eV:	-10.0(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfanylmethyl)-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=C2N=NN(C(=O)N2C=N1)CC#C

DOS

IR

Vibrations