Geometry & MOs

Info

ID:	31253
PubChem CID:	855354
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	7.08
IP(EA), eV:	-8.8(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)OC(C)C)C#N)C

DOS

IR

Vibrations