Geometry & MOs

Info

ID:

375922

PubChem CID:

134221918

Reduced:

NF4O5C34H35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

579.218779

ΔHf, kcal/mol:

-399.0

Dipole, Da:

6.4

IP(EA), eV:

 -8.77(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(5-chloro-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=C(C=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C)C(F)(F)F

DOS

IR

Vibrations