Geometry & MOs

Info

ID:

375975

PubChem CID:

134221974

Reduced:

ClN2O2F3H24C27 (1)

Stoich.:

AB2C2D3E24F27 (1)

Weight, g/mol:

591.263231

ΔHf, kcal/mol:

-154.77

Dipole, Da:

4.3

IP(EA), eV:

 -9.01(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2,6-dimethoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)C(/C=C/C2=CC=C(C=C2)NN(C)C(=O)C3=CC=CC=C3C=O)C(F)(F)F

DOS

IR

Vibrations