Geometry & MOs

Info

ID:

375868

PubChem CID:

134221862

Reduced:

NO5C31H33 (1)

Stoich.:

AB5C31D33 (1)

Weight, g/mol:

563.341087

ΔHf, kcal/mol:

-184.92

Dipole, Da:

9.5

IP(EA), eV:

 -8.48(-0.14)

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-1H-indol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1OCCC2)C)C3=C(C(=CC4=C3CCN4C(=O)C5=CC(=C(C=C5)OC)C)C)CC(=O)O

DOS

IR

Vibrations