Geometry & MOs

Info

ID:	201318
PubChem CID:	79524396
Reduced:	BrF3N4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	368.01941
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	5.42
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-5-bromophenyl)sulfanyl-1-cyclopentylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)CNC2=C(C=C(C=C2)Br)C(F)(F)F)N

DOS

IR

Vibrations