Geometry & MOs

Info

ID:	131656
PubChem CID:	51239446
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	3.58
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropyl)-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)CCC3=CC(=CC(=C3)OC)OC)SC=C2

DOS

IR

Vibrations