Geometry & MOs

Info

ID:	66240
PubChem CID:	46500483
Reduced:	BrO2N3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	408.018285
ΔH_f, kcal/mol:	3.84
Dipole, Da:	8.83
IP(EA), eV:	-8.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-5-oxo-3-(4-sulfamoylanilino)-2H-furan-2-yl] benzoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2/C(=C\C3=CN(C4=C3C=C(C=C4)Br)CC(=O)N5CCCC5)/C1=O

DOS

IR

Vibrations