Geometry & MOs

Info

ID:	311177
PubChem CID:	126589748
Reduced:	SO4H28C29 (1)
Stoich.:	AB4C28D29 (1)
Weight, g/mol:	488.141736
ΔH_f, kcal/mol:	-85.09
Dipole, Da:	2.76
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropylsulfanyl-3-[3-[[4-ethoxy-5-(5-fluoro-2-methoxypyridin-4-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC=C1C2=C(SC=C2COC3=CC=CC(=C3)CCC(=O)O)C4=C5C=COC5=CC=C4)C

DOS

IR

Vibrations