Geometry & MOs

Info

ID:	36748
PubChem CID:	8012142
Reduced:	SO3N5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	331.085601
ΔH_f, kcal/mol:	19.33
Dipole, Da:	3.39
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CN3N=C(N=N3)C4=CC=CS4)OC1

DOS

IR

Vibrations