Geometry & MOs

Info

ID:	145288
PubChem CID:	53493205
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	478.123938
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	2.38
IP(EA), eV:	-9.49(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-2,2-dimethyl-9-oxo-3,4-dihydropyrano[3,2-h]chromen-4-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCC1C2C(C(CO2)CC3=CC=CC=N3)(C4=CC=CC=C14)O

DOS

IR

Vibrations