Geometry & MOs

Info

ID:

124938

PubChem CID:

50904843

Reduced:

NF2O4C24H27 (1)

Stoich.:

AB2C4D24E27 (1)

Weight, g/mol:

1195.204163

ΔHf, kcal/mol:

-244.54

Dipole, Da:

5.21

IP(EA), eV:

 -8.93(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,19R,22R,34S,37R,40R)-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,52,62,65-docosaene-52-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)COC(=O)C[C@H]3C[C@@H]4CC[C@H]3C4

DOS

IR

Vibrations