Geometry & MOs

Info

ID:	230671
PubChem CID:	87571621
Reduced:	SO3C6H14 (1)
Stoich.:	AB3C6D14 (1)
Weight, g/mol:	383.149951
ΔH_f, kcal/mol:	-149.82
Dipole, Da:	5.2
IP(EA), eV:	-8.88(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[4-[1-(4-chlorophenyl)ethylideneamino]oxybutyl]-2-methyl-1,3-dioxane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C)(O)S(=O)O

DOS

IR

Vibrations