Geometry & MOs

Info

ID:	136007
PubChem CID:	51964497
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	430.074503
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	5.91
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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)N1CCC(CC1)C(=O)NC2=CC=NC=C2)SCC3=CC=CC=C3

DOS

IR

Vibrations