Geometry & MOs

Info

ID:	218468
PubChem CID:	85089496
Reduced:	SiF2N2O4C24H24 (1)
Stoich.:	AB2C2D4E24F24 (1)
Weight, g/mol:	470.10691
ΔH_f, kcal/mol:	-230.98
Dipole, Da:	5.88
IP(EA), eV:	-9.23(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-4-(2-hydroxyethylsulfanyl)-8-[1-(2-hydroxyethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

CCC1(CC(=O)OCC2=C1C=C3C4=NC5=CC(=C(C=C5C(=C4CN3C2=O)[Si](C)(C)C)F)F)O

DOS

IR

Vibrations