Geometry & MOs

Info

ID:	79324
PubChem CID:	49748054
Reduced:	FSO4N5C25H32 (1)
Stoich.:	ABC4D5E25F32 (1)
Weight, g/mol:	585.187975
ΔH_f, kcal/mol:	-164.47
Dipole, Da:	4.84
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C)C=C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations