Geometry & MOs

Info

ID:

375898

PubChem CID:

134221893

Reduced:

NF2O6C33H35 (1)

Stoich.:

AB2C6D33E35 (1)

Weight, g/mol:

563.24833

ΔHf, kcal/mol:

-313.41

Dipole, Da:

6.18

IP(EA), eV:

 -8.6(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(5-fluoro-2-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=C(C=CC(=C3)F)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations