Geometry & MOs

Info

ID:

375992

PubChem CID:

134221991

Reduced:

NF2O6C33H35 (1)

Stoich.:

AB2C6D33E35 (1)

Weight, g/mol:

557.182536

ΔHf, kcal/mol:

-317.51

Dipole, Da:

9.52

IP(EA), eV:

 -8.69(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=CC(=CC(=C3)F)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations