Geometry & MOs

Info

ID:

298625

PubChem CID:

117651929

Reduced:

ClF3N3O3H19C21 (1)

Stoich.:

AB3C3D3E19F21 (1)

Weight, g/mol:

746.509469

ΔHf, kcal/mol:

-182.51

Dipole, Da:

3.18

IP(EA), eV:

 -9.14(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC12CC(=NO2)C3=CC=C(C=C3)C(F)(F)F)OC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations