Geometry & MOs

Info

ID:	31461
PubChem CID:	855749
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-22.89
Dipole, Da:	7.96
IP(EA), eV:	-8.82(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CSC1=C(C=C2C=C(C=CC2=N1)OC)C#N

DOS

IR

Vibrations