Geometry & MOs

Info

ID:	245426
PubChem CID:	99444639
Reduced:	SN2O2F3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	490.128646
ΔH_f, kcal/mol:	-191.04
Dipole, Da:	5.39
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations