Geometry & MOs

Info

ID:

375886

PubChem CID:

134221880

Reduced:

FNO3H24C26 (1)

Stoich.:

ABC3D24E26 (1)

Weight, g/mol:

565.356737

ΔHf, kcal/mol:

-134.07

Dipole, Da:

4.99

IP(EA), eV:

 -8.91(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydro-1H-indol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)C4=C(C=CC(=C4)F)C)C)CC(=O)O

DOS

IR

Vibrations