Geometry & MOs

Info

ID:	410100
PubChem CID:	135082889
Reduced:	ClN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	508.173332
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	5.09
IP(EA), eV:	-8.53(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]-8-ethenyl-1,10,12-trimethoxynaphtho[1,2-c]isochromen-6-one

Drug info:

PubChemData

Smile

C1[C@@H](N/C(=C(\C2=N[C@H](CO2)C3=CC=CC=C3)/Cl)/O1)C4=CC=CC=C4

DOS

IR

Vibrations