Geometry & MOs

Info

ID:	79008
PubChem CID:	49743084
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	5.1
IP(EA), eV:	-8.92(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-(4-ethyl-2-oxo-1H-quinolin-7-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)COC3=CC=C(C=C3)C

DOS

IR

Vibrations