Geometry & MOs

Info

ID:

180638

PubChem CID:

76663561

Reduced:

ON3F4H19C22 (1)

Stoich.:

AB3C4D19E22 (1)

Weight, g/mol:

601.434239

ΔHf, kcal/mol:

-172.66

Dipole, Da:

5.86

IP(EA), eV:

 -9.27(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-acetyloxy-21-(4-aminobutoxy)-5,7,10,15-tetramethyl-7-(3-methylbutan-2-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N=C(N=C2N3CCC(C3)O)C(F)(F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations