Geometry & MOs

Info

ID:

151276

PubChem CID:

53790976

Reduced:

FN2O2C14H16 (2)

Stoich.:

AB2C2D14E16 (2)

Weight, g/mol:

429.139922

ΔHf, kcal/mol:

-229.75

Dipole, Da:

2.86

IP(EA), eV:

 -9.97(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1,3-dihydroxy-4,5-dihydroisoindol-2-yl)methyl (1R,3S)-2,2-dimethyl-3-[3-oxo-3-(2,2,2-trifluoroethoxy)prop-1-enyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(CC(C(CC2=CC(=CC(=C2)F)F)NC(=O)C3=NC4=CC=CC=C4N=C3)O)C(=O)N)O

DOS

IR

Vibrations