Geometry & MOs

Info

ID:

375990

PubChem CID:

134221989

Reduced:

NO2F7H26C30 (1)

Stoich.:

AB2C7D26E30 (1)

Weight, g/mol:

667.21687

ΔHf, kcal/mol:

-411.89

Dipole, Da:

6.45

IP(EA), eV:

 -8.67(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C=C1C)N(CC2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations