Geometry & MOs

Info

ID:

46759

PubChem CID:

10527063

Reduced:

O9C22H32 (1)

Stoich.:

A9B22C32 (1)

Weight, g/mol:

440.183503

ΔHf, kcal/mol:

-393.44

Dipole, Da:

6.29

IP(EA), eV:

 -8.83(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OCC2=CC[C@H]3C[C@@H]2C3(C)C)CO

DOS

IR

Vibrations