Geometry & MOs

Info

ID:	352402
PubChem CID:	127283489
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	39.92
Dipole, Da:	3.55
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCCCC3C4=NC=CS4)C

DOS

IR

Vibrations