Geometry & MOs

Info

ID:	64748
PubChem CID:	29203943
Reduced:	FSN4O4C18H23 (1)
Stoich.:	ABC4D4E18F23 (1)
Weight, g/mol:	414.133948
ΔH_f, kcal/mol:	-138.2
Dipole, Da:	5.36
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations