Geometry & MOs

Info

ID:	294677
PubChem CID:	117480822
Reduced:	F2N2O2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	298.087495
ΔH_f, kcal/mol:	-156.91
Dipole, Da:	4.75
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[3-methoxy-2-(thian-4-yloxy)phenyl]acetic acid

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC3=C(C=C2C(F)F)OCCO3)CN

DOS

IR

Vibrations