Geometry & MOs

Info

ID:	169981
PubChem CID:	75176411
Reduced:	SF3N4O5H9C13 (1)
Stoich.:	AB3C4D5E9F13 (1)
Weight, g/mol:	237.057198
ΔH_f, kcal/mol:	-213.69
Dipole, Da:	8.18
IP(EA), eV:	-10.3(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamimidothioate

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)N/C=C(/[N+](=O)[O-])\S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations