Geometry & MOs

Info

ID:

375863

PubChem CID:

134221857

Reduced:

FNO6C34H36 (1)

Stoich.:

ABC6D34E36 (1)

Weight, g/mol:

562.247915

ΔHf, kcal/mol:

-268.61

Dipole, Da:

10.38

IP(EA), eV:

 -8.69(-0.39)

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-(3-methoxypyridine-4-carbonyl)-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=C4CCOC4=CC=C3)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C5=CC(=C6C(=C5C)CCCO6)F

DOS

IR

Vibrations