Geometry & MOs

Info

ID:

219832

PubChem CID:

85164942

Reduced:

NO2C8H9 (4)

Stoich.:

AB2C8D9 (4)

Weight, g/mol:

604.288362

ΔHf, kcal/mol:

-274.7

Dipole, Da:

5.91

IP(EA), eV:

 -9.12(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)OC1=CC=C(C=C1)CN=C(NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations