Geometry & MOs

Info

ID:	31311
PubChem CID:	855561
Reduced:	N2S2O3C13H14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	337.11365
ΔH_f, kcal/mol:	-77.86
Dipole, Da:	7.66
IP(EA), eV:	-8.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-benzylquinolin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NS(=O)(=O)C

DOS

IR

Vibrations