Geometry & MOs

Info

ID:	31426
PubChem CID:	855704
Reduced:	OSN5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	56.47
Dipole, Da:	5.52
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N)C3=CN=CC=C3

DOS

IR

Vibrations