Geometry & MOs

Info

ID:	43562
PubChem CID:	10321471
Reduced:	O2F4N5H19C21 (1)
Stoich.:	A2B4C5D19E21 (1)
Weight, g/mol:	449.145007
ΔH_f, kcal/mol:	-194.95
Dipole, Da:	5.16
IP(EA), eV:	-9.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-(trifluoromethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(C(=NN2)C3=CC(=C(C=C3)F)C(F)(F)F)C4=NC=NC=C4)C(=O)CO

DOS

IR

Vibrations