Geometry & MOs

Info

ID:	129552
PubChem CID:	51073069
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	16.56
Dipole, Da:	2.93
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(ethylcarbamoyl)-2-quinolin-8-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(C)(C#N)NC(=O)CSC1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations