Geometry & MOs

Info

ID:	230279
PubChem CID:	87570570
Reduced:	SO3C6H16 (1)
Stoich.:	AB3C6D16 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-123.89
Dipole, Da:	6.55
IP(EA), eV:	-8.05(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOC.CS(=O)C

DOS

IR

Vibrations