Geometry & MOs

Info

ID:

215599

PubChem CID:

85084963

Reduced:

PN10O23C40H55 (1)

Stoich.:

AB10C23D40E55 (1)

Weight, g/mol:

1078.519604

ΔHf, kcal/mol:

-1095.9

Dipole, Da:

8.29

IP(EA), eV:

 -9.74(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[3,4-dihydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)N

DOS

IR

Vibrations