Geometry & MOs

Info

ID:	145532
PubChem CID:	53540116
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	331.099063
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	1.79
IP(EA), eV:	-8.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-oxo-1,2-dihydroisoindol-5-yl)acetamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=NC=N2)N(C)C3CCN(CC3)C4CCOCC4

DOS

IR

Vibrations