Geometry & MOs

Info

ID:

169642

PubChem CID:

75130926

Reduced:

O17C44H70 (1)

Stoich.:

A17B44C70 (1)

Weight, g/mol:

1206.603333

ΔHf, kcal/mol:

-789.86

Dipole, Da:

7.41

IP(EA), eV:

 -9.04(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-hydroxy-6-[6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)COC3C(C(C(C(O3)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)O)O

DOS

IR

Vibrations