Geometry & MOs

Info

ID:	153073
PubChem CID:	56312201
Reduced:	FSO3N5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-69.86
Dipole, Da:	1.33
IP(EA), eV:	-8.78(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations