Geometry & MOs

Info

ID:	189618
PubChem CID:	77882240
Reduced:	S2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	330.146724
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	1.91
IP(EA), eV:	-8.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1CC2C(O1)CC(C2C(C=CSC)SC)O

DOS

IR

Vibrations