Geometry & MOs

Info

ID:

169901

PubChem CID:

75165635

Reduced:

N9O10C53H73 (1)

Stoich.:

A9B10C53D73 (1)

Weight, g/mol:

330.095082

ΔHf, kcal/mol:

-420.42

Dipole, Da:

12.47

IP(EA), eV:

 -8.9(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,6-dihydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3CCCNC(=O)C4CC(CN4C(=O)C(NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC3=O)C(C)O)CCC6=CC=C(C=C6)O)CCCCN)N

DOS

IR

Vibrations