Geometry & MOs

Info

ID:

173115

PubChem CID:

75599702

Reduced:

O5C22H36 (1)

Stoich.:

A5B22C36 (1)

Weight, g/mol:

712.148693

ΔHf, kcal/mol:

-283.23

Dipole, Da:

2.57

IP(EA), eV:

 -9.37(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[6-[5,7-dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

CC(C)C1CCC(C2C1C3C4(CCC(C(O4)(CC2O3)C)O)C)(C)OC(=O)C

DOS

IR

Vibrations