Geometry & MOs

Info

ID:	218220
PubChem CID:	85089045
Reduced:	FIN2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	440.08558
ΔH_f, kcal/mol:	-82.16
Dipole, Da:	6.08
IP(EA), eV:	-9.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[3-(3-hydroxy-2-methoxycarbonylphenoxy)prop-1-enyl]-4-nitrophenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(COC1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)I)O

DOS

IR

Vibrations