Geometry & MOs

Info

ID:	230057
PubChem CID:	87569975
Reduced:	ClO2S2N3H14C19 (1)
Stoich.:	AB2C2D3E14F19 (1)
Weight, g/mol:	383.174416
ΔH_f, kcal/mol:	17.26
Dipole, Da:	5.67
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-(3-fluoro-4-methoxyphenyl)ethylideneamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)C3=CC(=C(N=C3)Cl)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations