Geometry & MOs

Info

ID:	122960
PubChem CID:	50828605
Reduced:	S3O4N5C16H17 (1)
Stoich.:	A3B4C5D16E17 (1)
Weight, g/mol:	458.175419
ΔH_f, kcal/mol:	-32.94
Dipole, Da:	8.84
IP(EA), eV:	-9.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CSC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations