Geometry & MOs

Info

ID:	41888
PubChem CID:	8147646
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	8.61
IP(EA), eV:	-7.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CC[NH+](CC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations