Geometry & MOs

Info

ID:	218268
PubChem CID:	85089108
Reduced:	N2O4F6H10C19 (1)
Stoich.:	A2B4C6D10E19 (1)
Weight, g/mol:	443.09435
ΔH_f, kcal/mol:	-393.77
Dipole, Da:	6.89
IP(EA), eV:	-9.83(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxymethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=C(C#N)C(=O)O)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations