Geometry & MOs

Info

ID:	193158
PubChem CID:	78351417
Reduced:	ClSN4O5C24H28 (1)
Stoich.:	ABC4D5E24F28 (1)
Weight, g/mol:	518.139069
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752852
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chlorophenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)N=CC(C3=O)C(=O)NCCC[NH+]4CCOCC4

DOS

IR

Vibrations