Geometry & MOs

Info

ID:

45116

PubChem CID:

10508147

Reduced:

SiF3N4O6C29H37 (1)

Stoich.:

AB3C4D6E29F37 (1)

Weight, g/mol:

622.444469

ΔHf, kcal/mol:

-433.12

Dipole, Da:

7.63

IP(EA), eV:

 -9.35(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10S,11R,13R,14R,17S)-11-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)C(C(C(F)(F)F)O[Si](C)(C)C(C)(C)C)NC(=O)CN1C=CC2=C(C1=O)NC(=O)N(C2=O)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations