Geometry & MOs

Info

ID:	421639
PubChem CID:	135116334
Reduced:	O2F3N4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	392.138365
ΔH_f, kcal/mol:	-213.96
Dipole, Da:	4.29
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-carboxy-4-ethylpiperidin-1-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NC(=N2)N3C[C@@H]4COC[C@H](C3)NC4=O)C(F)(F)F

DOS

IR

Vibrations