Geometry & MOs

Info

ID:	68225
PubChem CID:	46507998
Reduced:	O3F4N4C20H22 (1)
Stoich.:	A3B4C4D20E22 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-224.04
Dipole, Da:	6.51
IP(EA), eV:	-9.23(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-quinolin-8-ylacetate

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)CCNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC(=CC=C2)F

DOS

IR

Vibrations