Geometry & MOs

Info

ID:

375911

PubChem CID:

134221907

Reduced:

ClFNO6C33H37 (1)

Stoich.:

ABCD6E33F37 (1)

Weight, g/mol:

523.156179

ΔHf, kcal/mol:

-278.68

Dipole, Da:

5.91

IP(EA), eV:

 -8.31(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(2-chloro-4-methoxybenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1C2CCCOC2=C(C=C1C3=C(C(=CC4=C3CCN4C(=O)C5=C(C=C(C=C5)OC)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)F

DOS

IR

Vibrations