Geometry & MOs

Info

ID:

375907

PubChem CID:

134221903

Reduced:

BrOCl2F4H9C17 (1)

Stoich.:

ABC2D4E9F17 (1)

Weight, g/mol:

511.273401

ΔHf, kcal/mol:

-191.68

Dipole, Da:

2.94

IP(EA), eV:

 -10.2(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2,2-dimethylpropanoyl)-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

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

DOS

IR

Vibrations