Geometry & MOs

Info

ID:	185432
PubChem CID:	77300042
Reduced:	Cl2N5O5H19C21 (1)
Stoich.:	A2B5C5D19E21 (1)
Weight, g/mol:	473.09539
ΔH_f, kcal/mol:	-73.19
Dipole, Da:	4.84
IP(EA), eV:	-8.97(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]pyridin-3-yl]-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)COC2=C3C(=CC(=C2)C(=O)O)C=C(C=C3Cl)Cl)OCC4NNNN4

DOS

IR

Vibrations