Geometry & MOs

Info

ID:	127869
PubChem CID:	51020352
Reduced:	F2N3O4H13C17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	342.124252
ΔH_f, kcal/mol:	-139.52
Dipole, Da:	7.58
IP(EA), eV:	-9.93(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(1S,8S)-16-(1,3-oxazol-4-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3=C(O1)C=CC(=C3)[N+](=O)[O-])NC(=O)N2C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations