Geometry & MOs

Info

ID:	260681
PubChem CID:	103199717
Reduced:	SN2O2F3H9C12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	292.051778
ΔH_f, kcal/mol:	-188.98
Dipole, Da:	5.52
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)C2=CC(=CC=C2)C(F)(F)F)N

DOS

IR

Vibrations