Geometry & MOs

Info

ID:	200289
PubChem CID:	79376410
Reduced:	SN4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	210.057532
ΔH_f, kcal/mol:	84.51
Dipole, Da:	5.36
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC(C)C2=CC=CC=N2

DOS

IR

Vibrations