Geometry & MOs

Info

ID:	125471
PubChem CID:	50925481
Reduced:	NOCl2F3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	439.141973
ΔH_f, kcal/mol:	-182.57
Dipole, Da:	2.44
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6-(hydroxymethyl)-2-[1H-indol-3-yl-(3-phenoxyphenyl)methyl]pyran-4-one

Drug info:

PubChemData

Smile

C1CC(C2=C1C3=C(N2)C(=CC(=C3)Cl)Cl)(C(F)(F)F)O

DOS

IR

Vibrations