Geometry & MOs

Info

ID:	394407
PubChem CID:	135022920
Reduced:	NO6H27C35 (1)
Stoich.:	AB6C27D35 (1)
Weight, g/mol:	557.183838
ΔH_f, kcal/mol:	-52.66
Dipole, Da:	8.3
IP(EA), eV:	-9.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-3-nitro-5-(4-oxochromen-2-yl)-2,4-diphenylpentyl]chromen-4-one

Drug info:

PubChemData

Smile

C1C(C(C(C(C12CC(=O)C3=CC=CC=C3O2)C4=CC(=O)C5=CC=CC=C5O4)C6=CC=CC=C6)[N+](=O)[O-])C7=CC=CC=C7

DOS

IR

Vibrations