Geometry & MOs

Info

ID:	137947
PubChem CID:	52289495
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	473.162779
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	3.94
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]butyl]azanium

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCN2CCSC2=O

DOS

IR

Vibrations