Geometry & MOs

Info

ID:

375834

PubChem CID:

134221826

Reduced:

NF2O4H27C29 (1)

Stoich.:

AB2C4D27E29 (1)

Weight, g/mol:

563.24833

ΔHf, kcal/mol:

-226.5

Dipole, Da:

9.53

IP(EA), eV:

 -8.67(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2-fluoro-5-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=CC(=C(C=C1)F)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)CC(=O)O)C

DOS

IR

Vibrations