Geometry & MOs

Info

ID:

310032

PubChem CID:

126573004

Reduced:

FN3O3C37H48 (1)

Stoich.:

AB3C3D37E48 (1)

Weight, g/mol:

594.356991

ΔHf, kcal/mol:

-162.86

Dipole, Da:

6.17

IP(EA), eV:

 -8.5(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[2-[(4-cyanophenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN2CCC3=C(C2)C=CC(=C3)C4=C(N=C(C(=C4N5CCC(CC5)(C)C)[C@@H](C(=O)O)OC(C)(C)C)C)C)F

DOS

IR

Vibrations