Geometry & MOs

Info

ID:

375832

PubChem CID:

134221824

Reduced:

ClFNO5C33H35 (1)

Stoich.:

ABCD5E33F35 (1)

Weight, g/mol:

567.223258

ΔHf, kcal/mol:

-248.15

Dipole, Da:

7.56

IP(EA), eV:

 -8.72(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(3,5-difluorobenzoyl)-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=CC2=C(CCN2C(=O)C3=C(C=C(C=C3)Cl)C)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations