Geometry & MOs

Info

ID:

375891

PubChem CID:

134221885

Reduced:

NO4C29H37 (1)

Stoich.:

AB4C29D37 (1)

Weight, g/mol:

566.198378

ΔHf, kcal/mol:

-181.44

Dipole, Da:

6.66

IP(EA), eV:

 -8.73(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(4-chloropyridine-3-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=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)C4CCCCC4)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations