Geometry & MOs

Info

ID:

335113

PubChem CID:

127253919

Reduced:

ClN2O9H29C32 (1)

Stoich.:

AB2C9D29E32 (1)

Weight, g/mol:

396.084517

ΔHf, kcal/mol:

-302.42

Dipole, Da:

2.53

IP(EA), eV:

 -8.65(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6-methylfuro[3,2-c]pyran-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC4=C(C=C(C=C4)OC)NC3=O)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations