Geometry & MOs

Info

ID:	122858
PubChem CID:	50824592
Reduced:	SN4O6C21H22 (1)
Stoich.:	AB4C6D21E22 (1)
Weight, g/mol:	487.132568
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	7.01
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC4=NOC(=N4)C5CCC5

DOS

IR

Vibrations