Geometry & MOs

Info

ID:	191
PubChem CID:	2268
Reduced:	PS2N3O3C10H12 (1)
Stoich.:	AB2C3D3E10F12 (1)
Weight, g/mol:	317.005771
ΔH_f, kcal/mol:	-123.82
Dipole, Da:	3.74
IP(EA), eV:	-9.52(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1

DOS

IR

Vibrations