Geometry & MOs

Info

ID:	197672
PubChem CID:	78986564
Reduced:	BrSO2N3C13H20 (1)
Stoich.:	ABC2D3E13F20 (1)
Weight, g/mol:	196.067034
ΔH_f, kcal/mol:	-51.02
Dipole, Da:	3.9
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-thiazol-2-yl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)S(=O)(=O)C2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations