Geometry & MOs

Info

ID:	55641
PubChem CID:	17395710
Reduced:	OS2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	364.091535
ΔH_f, kcal/mol:	43.45
Dipole, Da:	5.08
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)NCC3=CC=CS3

DOS

IR

Vibrations