Geometry & MOs

Info

ID:

447801

PubChem CID:

135285864

Reduced:

FN2O6C43H49 (1)

Stoich.:

AB2C6D43E49 (1)

Weight, g/mol:

632.311104

ΔHf, kcal/mol:

-274.62

Dipole, Da:

6.54

IP(EA), eV:

 -8.91(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,6-dimethyl-5-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C2CCCOC2=C(C=C1C3=C(C(=NC(=C3C4=CC5=C(CN(CC5)C(=O)OCC6=CC=CC=C6)C=C4)C)C)C(C(=O)OC(C)C)OC(C)(C)C)F

DOS

IR

Vibrations