Geometry & MOs

Info

ID:	382642
PubChem CID:	134973918
Reduced:	O7H36C43 (1)
Stoich.:	A7B36C43 (1)
Weight, g/mol:	318.073953
ΔH_f, kcal/mol:	-95.8
Dipole, Da:	2.88
IP(EA), eV:	-9.04(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-methyl-3,4-dihydro-2H-chromene-7,8-dione

Drug info:

PubChemData

Smile

C1[C@@H](C(OC2=C1C(=O)C=C(C2=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations