Geometry & MOs

Info

ID:	280045
PubChem CID:	103846542
Reduced:	OSCl2N2C10H14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	2.95
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-phenylmethoxypropanoic acid

Drug info:

PubChemData

Smile

CCCNCCNC(=O)C1=C(SC(=C1)Cl)Cl

DOS

IR

Vibrations