Geometry & MOs

Info

ID:

375915

PubChem CID:

134221911

Reduced:

BrN2O2F3H26C27 (1)

Stoich.:

AB2C2D3E26F27 (1)

Weight, g/mol:

535.273401

ΔHf, kcal/mol:

-184.69

Dipole, Da:

6.26

IP(EA), eV:

 -9.3(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(cyclohexene-1-carbonyl)-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(=CC(=C1C)C)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC3=CN=C(C=C3)OC)Br)C(F)(F)F

DOS

IR

Vibrations