Geometry & MOs

Info

ID:	329391
PubChem CID:	126736030
Reduced:	N2O6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	562.147512
ΔH_f, kcal/mol:	-159.08
Dipole, Da:	4.9
IP(EA), eV:	-9.08(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

CCNC(=O)OC(C)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC

DOS

IR

Vibrations