Geometry & MOs

Info

ID:	56161
PubChem CID:	17422326
Reduced:	ClSN2O4H13C14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	2.39
IP(EA), eV:	-9.37(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)NC2=NC=C(S2)C(=O)OC)Cl

DOS

IR

Vibrations