Geometry & MOs

Info

ID:	394406
PubChem CID:	135022919
Reduced:	NOF3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	557.183838
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	1.38
IP(EA), eV:	-9.64(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-nitro-2'-(4-oxochromen-2-yl)-3',5'-diphenylspiro[3H-chromene-2,1'-cyclohexane]-4-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations