Geometry & MOs

Info

ID:	347280
PubChem CID:	127272074
Reduced:	S2N3O3C16H25 (1)
Stoich.:	A2B3C3D16E25 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	-125.1
Dipole, Da:	4.27
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCCC1=NC2=C(S1)CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations