Geometry & MOs

Info

ID:

169080

PubChem CID:

75061294

Reduced:

O11C31H38 (1)

Stoich.:

A11B31C38 (1)

Weight, g/mol:

1370.635421

ΔHf, kcal/mol:

-418.74

Dipole, Da:

2.23

IP(EA), eV:

 -9.87(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(=C)C23C(O2)CC(C3(C1OC(=O)C)C)C4=CC(OC4=O)O)C5(C=CC(=O)C(C5CC(=O)OC)(C)C)C

DOS

IR

Vibrations