Geometry & MOs

Info

ID:

375897

PubChem CID:

134221891

Reduced:

BrO2F3H20C21 (1)

Stoich.:

AB2C3D20E21 (1)

Weight, g/mol:

579.243244

ΔHf, kcal/mol:

-213.8

Dipole, Da:

3.66

IP(EA), eV:

 -9.49(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(5-fluoro-2-methoxybenzoyl)-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

CCOC(=O)C1=C(C=C(C=C1)/C=C/C(C2=CC(=CC(=C2)C)C)C(F)(F)F)Br

DOS

IR

Vibrations