Geometry & MOs

Info

ID:	364858
PubChem CID:	127316307
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	5.76
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations