Geometry & MOs

Info

ID:	169580
PubChem CID:	75121562
Reduced:	ClSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	462.977202
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	6.0
IP(EA), eV:	-8.76(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C=CC2=C(N=C3N2C=CS3)Cl)C

DOS

IR

Vibrations