Geometry & MOs

Info

ID:

418576

PubChem CID:

135105880

Reduced:

O3N4H22C25 (1)

Stoich.:

A3B4C22D25 (1)

Weight, g/mol:

507.228183

ΔHf, kcal/mol:

24.46

Dipole, Da:

3.09

IP(EA), eV:

 -9.75(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,29R)-7-fluoro-21-methoxy-11,19-dioxa-3,14,15,16,27-pentazahexacyclo[25.4.1.114,17.02,29.05,10.020,25]tritriaconta-5(10),6,8,15,17(33),20(25),21,23-octaen-4-one

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=CC=C4)CC5=CC=NC=C5

DOS

IR

Vibrations