Geometry & MOs

Info

ID:

436657

PubChem CID:

135206673

Reduced:

FN3O5C34H46 (1)

Stoich.:

AB3C5D34E46 (1)

Weight, g/mol:

656.405004

ΔHf, kcal/mol:

-231.8

Dipole, Da:

7.18

IP(EA), eV:

 -8.84(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[2-(5-methyl-6-morpholin-4-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCC(C)(C)OC(C(=O)O)C1(CC=C(N=C1OC)C2=C(C=C(N=C2)C)N3CCC(CC3)(C)C)OCCC4=CC=C(C=C4)F

DOS

IR

Vibrations