Geometry & MOs

Info

ID:

375923

PubChem CID:

134221919

Reduced:

ClFNO5C33H35 (1)

Stoich.:

ABCD5E33F35 (1)

Weight, g/mol:

617.220064

ΔHf, kcal/mol:

-248.6

Dipole, Da:

7.97

IP(EA), eV:

 -8.71(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-1-[2-fluoro-3-(trifluoromethyl)benzoyl]-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)Cl)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations