Geometry & MOs

Info

ID:	309686
PubChem CID:	126554464
Reduced:	FN5H20C26 (1)
Stoich.:	AB5C20D26 (1)
Weight, g/mol:	354.085186
ΔH_f, kcal/mol:	169.64
Dipole, Da:	7.9
IP(EA), eV:	-8.37(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-hydroxy-7,12,14-trioxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)ethyl acetate

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/C(=C)C2=CC=CC=N2)\C(=C\3/C=C4C(=CC=NC4=N3)C5=CC=CC=C5F)\NN1

DOS

IR

Vibrations