Geometry & MOs

Info

ID:	64050
PubChem CID:	26759768
Reduced:	N2F3O6H11C13 (1)
Stoich.:	A2B3C6D11E13 (1)
Weight, g/mol:	377.056923
ΔH_f, kcal/mol:	-367.81
Dipole, Da:	4.03
IP(EA), eV:	-9.22(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations