Geometry & MOs

Info

ID:	261248
PubChem CID:	103224166
Reduced:	OC2H4 (7)
Stoich.:	AB2C4 (7)
Weight, g/mol:	257.035794
ΔH_f, kcal/mol:	-314.02
Dipole, Da:	3.42
IP(EA), eV:	-9.87(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-(4-nitrophenyl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCCCOCCOCCOCCOC(COC)C(=O)O

DOS

IR

Vibrations