Geometry & MOs

Info

ID:

447777

PubChem CID:

135285653

Reduced:

ClO2F3N3H13C14 (1)

Stoich.:

AB2C3D3E13F14 (1)

Weight, g/mol:

630.303991

ΔHf, kcal/mol:

-185.89

Dipole, Da:

3.18

IP(EA), eV:

 -10.04(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C(CC2=CC(=C(C=C2)OC(F)(F)F)Cl)N

DOS

IR

Vibrations