Geometry & MOs

Info

ID:	268330
PubChem CID:	103598949
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	349.065176
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	7.57
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations