Geometry & MOs

Info

ID:	400068
PubChem CID:	135044998
Reduced:	NO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	494.124668
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	3.64
IP(EA), eV:	-9.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(1E,3E)-6-hydroxyhexa-1,3-dienyl]-2-(hydroxymethyl)-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6H-thieno[3,2-g][2]benzofuran-8-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(C3=CC=CC=C3C(=O)N2)O

DOS

IR

Vibrations