Geometry & MOs

Info

ID:	346238
PubChem CID:	127270742
Reduced:	Cl2O3N4H14C16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	326.065989
ΔH_f, kcal/mol:	-57.41
Dipole, Da:	6.68
IP(EA), eV:	-9.89(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C2=O)CC3=NN=C(O3)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations