Geometry & MOs

Info

ID:

398335

PubChem CID:

135032841

Reduced:

PN2O10C23H31 (1)

Stoich.:

AB2C10D23E31 (1)

Weight, g/mol:

525.163807

ΔHf, kcal/mol:

-498.01

Dipole, Da:

5.2

IP(EA), eV:

 -8.93(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(1S,2S,3R,8R,10R,11R,16R,17R,19R,23R)-17-hydroxy-10-(hydroxymethyl)-1,3,21-trimethyl-13-oxido-13-oxo-9,12,14,25-tetraoxa-5,7-diaza-13lambda5-phosphahexacyclo[18.3.1.18,11.116,19.02,7.03,23]hexacosa-20(24),21-diene-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O[C@@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)O

DOS

IR

Vibrations