Geometry & MOs

Info

ID:	342789
PubChem CID:	127265952
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-111.5
Dipole, Da:	8.85
IP(EA), eV:	-9.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-8-[2-oxo-2-(propan-2-ylamino)ethoxy]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C=O

DOS

IR

Vibrations