Geometry & MOs

Info

ID:

85007

PubChem CID:

49871290

Reduced:

O10C43H66 (1)

Stoich.:

A10B43C66 (1)

Weight, g/mol:

490.147512

ΔHf, kcal/mol:

-515.87

Dipole, Da:

5.38

IP(EA), eV:

 -9.12(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H](C(=O)C[C@H](C(=O)C[C@]2([C@H](CC(=C3[C@H]2/C=C(/CC[C@H]4[C@](CC[C@@H](O4)[C@@](C[C@H]3OC(=O)C)(C)O)(C)O)\C)C)C(=O)C1)C(=O)OC)C(C)C)C

DOS

IR

Vibrations