Geometry & MOs

Info

ID:

375862

PubChem CID:

134221856

Reduced:

O2Cl3F3N5H21C27 (1)

Stoich.:

A2B3C3D5E21F27 (1)

Weight, g/mol:

573.252666

ΔHf, kcal/mol:

-98.99

Dipole, Da:

2.96

IP(EA), eV:

 -9.26(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2,3-dihydro-1-benzofuran-4-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

C1CC1C(=O)N(C(=O)C2CC2)C(=NC=NC3=C(C=C(C=C3)/C=C/C(C4=CC(=C(C(=C4)Cl)Cl)Cl)C(F)(F)F)C#N)N

DOS

IR

Vibrations