Geometry & MOs

Info

ID:	31500
PubChem CID:	855793
Reduced:	ClS2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	85.13
Dipole, Da:	4.46
IP(EA), eV:	-8.86(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CCSC1=NC=NC2=C1SN=C2C3=CC=C(C=C3)Cl

DOS

IR

Vibrations