Geometry & MOs

Info

ID:	197385
PubChem CID:	78960965
Reduced:	NSCl2C6H7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	16.09
Dipole, Da:	2.75
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=C(SC(=C1)Cl)Cl)N

DOS

IR

Vibrations