Geometry & MOs

Info

ID:	280194
PubChem CID:	103847482
Reduced:	BrN2S2O4H9C11 (1)
Stoich.:	AB2C2D4E9F11 (1)
Weight, g/mol:	290.073656
ΔH_f, kcal/mol:	-97.37
Dipole, Da:	1.17
IP(EA), eV:	-10.05(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylsulfamoylamino)-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2=CC(=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations