Geometry & MOs

Info

ID:	156865
PubChem CID:	56394781
Reduced:	SO2N4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	448.178041
ΔH_f, kcal/mol:	22.6
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-oxo-4-(4-propanoylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations