Geometry & MOs

Info

ID:

375836

PubChem CID:

134221828

Reduced:

NF3O4H24C28 (1)

Stoich.:

AB3C4D24E28 (1)

Weight, g/mol:

563.24833

ΔHf, kcal/mol:

-264.74

Dipole, Da:

3.75

IP(EA), eV:

 -8.92(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(3-fluoro-4-methylbenzoyl)-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=CC2=C(CCN2C(=O)C3=CC(=CC(=C3)F)F)C(=C1CC(=O)O)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations