Geometry & MOs

Info

ID:	79323
PubChem CID:	49748053
Reduced:	FO3N5C28H36 (1)
Stoich.:	AB3C5D28E36 (1)
Weight, g/mol:	517.215904
ΔH_f, kcal/mol:	-139.89
Dipole, Da:	3.15
IP(EA), eV:	-8.46(-0.41)
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-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C(=O)NCC(C3=CC=C(C=C3)F)N4CCN(CC4)C

DOS

IR

Vibrations