Geometry & MOs

Info

ID:	64419
PubChem CID:	29200238
Reduced:	BrFSN2O4C18H18 (1)
Stoich.:	ABCD2E4F18G18 (1)
Weight, g/mol:	387.175833
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	5.86
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@@H](C(=O)NC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations