Geometry & MOs

Info

ID:	64740
PubChem CID:	29203933
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	428.149598
ΔH_f, kcal/mol:	-69.51
Dipole, Da:	8.69
IP(EA), eV:	-9.36(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)C2=CC=CC=C2F)C3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations