Geometry & MOs

Info

ID:	70867
PubChem CID:	48413976
Reduced:	OSN5H17C19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	417.147075
ΔH_f, kcal/mol:	91.47
Dipole, Da:	7.22
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diethylsulfamoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations