Geometry & MOs

Info

ID:	232564
PubChem CID:	87576430
Reduced:	F5O5H17C21 (1)
Stoich.:	A5B5C17D21 (1)
Weight, g/mol:	486.116212
ΔH_f, kcal/mol:	-410.65
Dipole, Da:	5.67
IP(EA), eV:	-9.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chromen-2-one;7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OCCCC(C(F)(F)F)(F)F)C(=O)O

DOS

IR

Vibrations