Geometry & MOs

Info

ID:

375859

PubChem CID:

134221853

Reduced:

NF4O6C34H35 (1)

Stoich.:

AB4C6D34E35 (1)

Weight, g/mol:

575.268316

ΔHf, kcal/mol:

-432.48

Dipole, Da:

5.68

IP(EA), eV:

 -8.72(-0.89)

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-4-methylbenzoyl)-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=CC(=C(C=C3)OC)C(F)(F)F)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations