Geometry & MOs

Info

ID:

215301

PubChem CID:

85084512

Reduced:

PF2N3O11C38H58 (1)

Stoich.:

AB2C3D11E38F58 (1)

Weight, g/mol:

802.471472

ΔHf, kcal/mol:

-716.36

Dipole, Da:

9.28

IP(EA), eV:

 -9.35(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[17-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)OC(=O)C(C)(C)C)C(=O)NC(CCC(=O)OCOC(=O)C(C)(C)C)C(=O)N(C)CCCC2CCCCC2

DOS

IR

Vibrations