Geometry & MOs

Info

ID:	165918
PubChem CID:	74614493
Reduced:	SF2N4O6C20H20 (1)
Stoich.:	AB2C4D6E20F20 (1)
Weight, g/mol:	375.19582
ΔH_f, kcal/mol:	-215.28
Dipole, Da:	2.14
IP(EA), eV:	-9.47(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)F)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations