Geometry & MOs

Info

ID:	136008
PubChem CID:	51964498
Reduced:	O2S2F3N4C17H17 (1)
Stoich.:	A2B2C3D4E17F17 (1)
Weight, g/mol:	430.074503
ΔH_f, kcal/mol:	-159.74
Dipole, Da:	3.45
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2C(F)(F)F)SC3=NN=CS3

DOS

IR

Vibrations