Geometry & MOs

Info

ID:	381461
PubChem CID:	134972212
Reduced:	F2N2O3H14C15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	446.07604
ΔH_f, kcal/mol:	-144.12
Dipole, Da:	4.33
IP(EA), eV:	-9.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,2R,10bS,12S,12aS)-1,2,8-trihydroxy-2,11,11,12-tetramethyl-3,10b,12,12a-tetrahydro-1H-naphtho[1,2-c]chromen-4a-id-4-one;yttrium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](OC1=O)CC(C2=NC(=NO2)C3=CC=CC=C3)(F)F

DOS

IR

Vibrations