Geometry & MOs

Info

ID:	169579
PubChem CID:	75121375
Reduced:	SCl3O3N4H11C16 (1)
Stoich.:	AB3C3D4E11F16 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-35.68
Dipole, Da:	2.85
IP(EA), eV:	-9.2(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C=CC2=C(N=C3N2C=CS3)Cl)Cl

DOS

IR

Vibrations