Geometry & MOs

Info

ID:	422072
PubChem CID:	135117129
Reduced:	SN2F3O3C20H23 (1)
Stoich.:	AB2C3D3E20F23 (1)
Weight, g/mol:	378.1591
ΔH_f, kcal/mol:	-253.45
Dipole, Da:	2.54
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(ethoxymethyl)piperidin-1-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CSC(=N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations