Geometry & MOs

Info

ID:	159057
PubChem CID:	57260090
Reduced:	SN5O5C21H25 (1)
Stoich.:	AB5C5D21E25 (1)
Weight, g/mol:	274.064137
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	5.52
IP(EA), eV:	-8.81(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoroacetyl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

Drug info:

PubChemData

Smile

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCCN4C3=CC=N4

DOS

IR

Vibrations