Geometry & MOs

Info

ID:	196778
PubChem CID:	78876978
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	376.191069
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	3.03
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)-1-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C)S(=O)(=O)CC2=NC=CN2CC3=CC=CC=C3

DOS

IR

Vibrations