Geometry & MOs

Info

ID:	338060
PubChem CID:	127258691
Reduced:	O3C19H22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	2.94
IP(EA), eV:	-8.93(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)OCC1=CC=CC=C1OCC2=CC=CC=C2

DOS

IR

Vibrations