Geometry & MOs

Info

ID:	304483
PubChem CID:	124753418
Reduced:	FON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	3.94
IP(EA), eV:	-8.34(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN1CC2=CC=CC=C2C[C@H]1CN(C)CCC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations