Geometry & MOs

Info

ID:

375918

PubChem CID:

134221914

Reduced:

ClNF2O3H28C29 (1)

Stoich.:

ABC2D3E28F29 (1)

Weight, g/mol:

579.218779

ΔHf, kcal/mol:

-176.94

Dipole, Da:

7.94

IP(EA), eV:

 -8.69(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(3-chloro-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

CCCCOC1=C(C=C(C(=C1)C)C2=C(C(=CC3=C2CCN3C(=O)C4=C(C=C(C=C4)Cl)F)C)CC=O)F

DOS

IR

Vibrations