Geometry & MOs

Info

ID:

375910

PubChem CID:

134221906

Reduced:

FNO4C26H30 (1)

Stoich.:

ABC4D26E30 (1)

Weight, g/mol:

597.229344

ΔHf, kcal/mol:

-219.88

Dipole, Da:

8.81

IP(EA), eV:

 -8.67(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[1-(2-chloro-4-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4,4a,5-tetrahydro-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)C(C)(C)C)C(=C1CC(=O)O)C3=CC(=C4C(=C3C)CCCO4)F

DOS

IR

Vibrations