Geometry & MOs

Info

ID:

375819

PubChem CID:

134221809

Reduced:

BrCl2N2O2F6H23C26 (1)

Stoich.:

AB2C2D2E6F23G26 (1)

Weight, g/mol:

529.173451

ΔHf, kcal/mol:

-391.51

Dipole, Da:

7.54

IP(EA), eV:

 -9.81(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(3,4-difluorophenyl)sulfonyl-6-methyl-4-(4-methylphenyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NC3CCN(CC3)C(=O)CC(F)(F)F)Br)C(F)(F)F

DOS

IR

Vibrations