Geometry & MOs

Info

ID:	192959
PubChem CID:	78329229
Reduced:	ClFN2O3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	292.063011
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	3.72
IP(EA), eV:	-9.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[2-(1,3-benzodioxol-5-yl)ethenyl]-3-sulfanylidene-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)F)C5=CC=CC=N5

DOS

IR

Vibrations