Geometry & MOs

Info

ID:

375844

PubChem CID:

134221836

Reduced:

F2N2O5C31H32 (1)

Stoich.:

A2B2C5D31E32 (1)

Weight, g/mol:

546.253

ΔHf, kcal/mol:

-261.42

Dipole, Da:

8.68

IP(EA), eV:

 -8.83(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C=NC=C3)F)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations