Geometry & MOs

Info

ID:	78912
PubChem CID:	49742695
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	3.97
IP(EA), eV:	-8.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentylsulfanyl-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CN3C=CC4=CC=CC=C43

DOS

IR

Vibrations