Geometry & MOs

Info

ID:

325507

PubChem CID:

126683691

Reduced:

NO3C33H35 (1)

Stoich.:

AB3C33D35 (1)

Weight, g/mol:

539.162725

ΔHf, kcal/mol:

-72.97

Dipole, Da:

7.04

IP(EA), eV:

 -8.7(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyrimidin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide

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