Geometry & MOs

Info

ID:	79321
PubChem CID:	49748044
Reduced:	BrFO2S2N3C17H21 (1)
Stoich.:	ABC2D2E3F17G21 (1)
Weight, g/mol:	481.248918
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	6.27
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(S2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations