Geometry & MOs

Info

ID:	347707
PubChem CID:	127272587
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-124.27
Dipole, Da:	2.82
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-(1-propylpiperidin-4-yl)-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations