Geometry & MOs

Info

ID:

325518

PubChem CID:

126683744

Reduced:

NO3C33H35 (1)

Stoich.:

AB3C33D35 (1)

Weight, g/mol:

596.184189

ΔHf, kcal/mol:

-73.1

Dipole, Da:

4.25

IP(EA), eV:

 -8.79(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)O)[C@H]2C[C@H](OC3=CC=CC=C23)CCCN[C@H](C)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations