Geometry & MOs

Info

ID:

375858

PubChem CID:

134221852

Reduced:

ClNF4O5H32C33 (1)

Stoich.:

ABC4D5E32F33 (1)

Weight, g/mol:

629.240051

ΔHf, kcal/mol:

-396.23

Dipole, Da:

7.94

IP(EA), eV:

 -8.81(-1.32)

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-[4-methoxy-3-(trifluoromethyl)benzoyl]-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=C(C=C(C=C3)Cl)C(F)(F)F)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations