Geometry & MOs

Info

ID:

298597

PubChem CID:

117651641

Reduced:

ClF3N3O3H19C21 (1)

Stoich.:

AB3C3D3E19F21 (1)

Weight, g/mol:

730.514555

ΔHf, kcal/mol:

-183.56

Dipole, Da:

4.12

IP(EA), eV:

 -9.3(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,5S,6R,7R,10R,11R,14R,15S,20R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyrimidin-5-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC12CC(=NO2)C3=CC=C(C=C3)Cl)OC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations