Geometry & MOs

Info

ID:	230363
PubChem CID:	87570722
Reduced:	N2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	429.145738
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	3.28
IP(EA), eV:	-9.58(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=NOCCCCC1COC(OC1)(C)C(=O)OC)C2=CC=NC=C2

DOS

IR

Vibrations