Geometry & MOs

Info

ID:

375999

PubChem CID:

134221998

Reduced:

F5H17C19 (1)

Stoich.:

A5B17C19 (1)

Weight, g/mol:

629.240051

ΔHf, kcal/mol:

-227.71

Dipole, Da:

3.76

IP(EA), eV:

-9.37(-0.41)

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)-1-[2-methoxy-3-(trifluoromethyl)benzoyl]-6-methyl-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)F)C)C(F)(F)F)F

DOS

IR

Vibrations