Geometry & MOs

Info

ID:

309983

PubChem CID:

126572155

Reduced:

FNO2C20H23 (2)

Stoich.:

ABC2D20E23 (2)

Weight, g/mol:

702.432048

ΔHf, kcal/mol:

-226.72

Dipole, Da:

4.72

IP(EA), eV:

 -8.87(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-[(4-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-6-[(4-fluoropiperidin-1-yl)methyl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CC2=CC=C(C=C2)F)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)N5CCC(CC5)(C)C)C(C(=O)O)OC(C)(C)C

DOS

IR

Vibrations