Geometry & MOs

Info

ID:

436825

PubChem CID:

135211997

Reduced:

SF3O6C11H17 (1)

Stoich.:

AB3C6D11E17 (1)

Weight, g/mol:

598.363139

ΔHf, kcal/mol:

-423.06

Dipole, Da:

1.95

IP(EA), eV:

 -9.9(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[4-(2,6-dimethylmorpholin-4-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@H]1CO[C@@H]([C@@H]1OS(=O)(=O)C(F)(F)F)[C@H]2COC(O2)(C)C

DOS

IR

Vibrations