Geometry & MOs

Info

ID:

215264

PubChem CID:

85084452

Reduced:

F4N4O9C38H52 (1)

Stoich.:

A4B4C9D38E52 (1)

Weight, g/mol:

784.35175

ΔHf, kcal/mol:

-601.52

Dipole, Da:

4.43

IP(EA), eV:

 -9.7(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,11-diacetyloxy-5,14-dihydroxy-17-(hydroxymethyl)-13-methyl-3-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)NC1C(OCC(C1OC2C(C(C(C(O2)CO)O)O)N=C(C3=CC=C(C=C3)F)N)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CO

DOS

IR

Vibrations