Geometry & MOs

Info

ID:

375902

PubChem CID:

134221898

Reduced:

OF3N3H22C23 (1)

Stoich.:

AB3C3D22E23 (1)

Weight, g/mol:

567.223258

ΔHf, kcal/mol:

-141.55

Dipole, Da:

8.86

IP(EA), eV:

 -8.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2,5-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=C(C=C(C=C1)/C=C/C(C2=CC(=CC(=C2)C)N3C=CC(=NC3=O)N)C(F)(F)F)C

DOS

IR

Vibrations