Geometry & MOs

Info

ID:	125891
PubChem CID:	50942543
Reduced:	PF5O5C23H32 (1)
Stoich.:	AB5C5D23E32 (1)
Weight, g/mol:	473.139051
ΔH_f, kcal/mol:	-547.35
Dipole, Da:	5.22
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diethoxyphosphoryl-7-(diethylamino)-2-(1,1,2,2,2-pentafluoroethyl)-4H-chromen-4-ol

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(OC2=C(C1O)C=C(C=C2C(C)(C)C)C(C)(C)C)C(C(F)(F)F)(F)F)OCC

DOS

IR

Vibrations