Geometry & MOs

Info

ID:

447775

PubChem CID:

135285607

Reduced:

OH4C6 (4)

Stoich.:

AB4C6 (4)

Weight, g/mol:

613.308661

ΔHf, kcal/mol:

-24.03

Dipole, Da:

3.29

IP(EA), eV:

 -9.82(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)C=CC2=O)C3=CC=CC=C3.C1=CC(=O)C=CC1=O

DOS

IR

Vibrations