Geometry & MOs

Info

ID:	158101
PubChem CID:	56462985
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	23.03
Dipole, Da:	6.21
IP(EA), eV:	-9.46(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-1,3-dioxo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3)C

DOS

IR

Vibrations