Geometry & MOs

Info

ID:	132688
PubChem CID:	51401551
Reduced:	SN4O4H9C12 (1)
Stoich.:	AB4C4D9E12 (1)
Weight, g/mol:	319.050101
ΔH_f, kcal/mol:	-36.48
Dipole, Da:	5.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.022129
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=CN=N3)[O-]

DOS

IR

Vibrations