Geometry & MOs

Info

ID:	31352
PubChem CID:	855611
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	6.84
IP(EA), eV:	-8.47(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)N3CCCC3

DOS

IR

Vibrations