Geometry & MOs

Info

ID:	346236
PubChem CID:	127270740
Reduced:	S2O3N4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	326.065989
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	3.8
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations