Geometry & MOs

Info

ID:

375855

PubChem CID:

134221849

Reduced:

ClOF3C10H10 (1)

Stoich.:

ABC3D10E10 (1)

Weight, g/mol:

633.190513

ΔHf, kcal/mol:

-212.63

Dipole, Da:

2.88

IP(EA), eV:

 -9.61(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-[3-chloro-5-(trifluoromethyl)benzoyl]-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)Cl)C)C(C(F)(F)F)O

DOS

IR

Vibrations