Geometry & MOs

Info

ID:	64424
PubChem CID:	29200407
Reduced:	SN4O5H16C18 (1)
Stoich.:	AB4C5D16E18 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	10.78
IP(EA), eV:	-9.33(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations