Geometry & MOs

Info

ID:	138921
PubChem CID:	52443453
Reduced:	BrOSF2N4H9C15 (1)
Stoich.:	ABCD2E4F9G15 (1)
Weight, g/mol:	415.146283
ΔH_f, kcal/mol:	15.83
Dipole, Da:	7.87
IP(EA), eV:	-8.98(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-(3-chloro-4-fluorophenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=S)NNC2=C3C=C(C=C(C3=NC2=O)Br)F)F

DOS

IR

Vibrations