Geometry & MOs

Info

ID:	7420
PubChem CID:	72500
Reduced:	O8C21H24 (1)
Stoich.:	A8B21C24 (1)
Weight, g/mol:	404.147118
ΔH_f, kcal/mol:	-296.36
Dipole, Da:	4.86
IP(EA), eV:	-9.49(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbut-2-enyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C

DOS

IR

Vibrations