Geometry & MOs

Info

ID:	31460
PubChem CID:	855748
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	21.37
Dipole, Da:	9.14
IP(EA), eV:	-9.12(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)N)C#N

DOS

IR

Vibrations