Geometry & MOs

Info

ID:	49762
PubChem CID:	11533739
Reduced:	ClFO3N5H25C27 (1)
Stoich.:	ABC3D5E25F27 (1)
Weight, g/mol:	521.984407
ΔH_f, kcal/mol:	-62.49
Dipole, Da:	3.41
IP(EA), eV:	-8.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-6-(trifluoromethoxy)chromen-3-yl]sulfonyl-6-(trifluoromethoxy)chromen-2-one

Drug info:

PubChemData

Smile

CC1(CN=C(O1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=C(C=C5)F)Cl)CCO

DOS

IR

Vibrations