Geometry & MOs

Info

ID:	82451
PubChem CID:	49856046
Reduced:	ClNNaOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	566.12717
ΔH_f, kcal/mol:	-63.64
Dipole, Da:	7.21
IP(EA), eV:	-8.1(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-8-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one

Drug info:

PubChemData

Smile

CC(C)(C)NCC(C1=CC=CC=C1Cl)[O-].[Na+]

DOS

IR

Vibrations