Geometry & MOs

Info

ID:	55642
PubChem CID:	17395712
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-105.38
Dipole, Da:	7.42
IP(EA), eV:	-9.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations