Geometry & MOs

Info

ID:

222959

PubChem CID:

85333508

Reduced:

P3N4O17C23H27 (1)

Stoich.:

A3B4C17D23E27 (1)

Weight, g/mol:

730.429213

ΔHf, kcal/mol:

-875.59

Dipole, Da:

9.09

IP(EA), eV:

 -9.06(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[16-acetyloxy-3-[5-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-11-hydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)NC3=CC=CC=C3)OC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations