Geometry & MOs

Info

ID:	139338
PubChem CID:	52511813
Reduced:	OSF3N5C15H18 (1)
Stoich.:	ABC3D5E15F18 (1)
Weight, g/mol:	358.113333
ΔH_f, kcal/mol:	-139.81
Dipole, Da:	3.52
IP(EA), eV:	-9.32(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(C)C)SC1=NN=C(N1CC(F)(F)F)C2=CC=NC=C2

DOS

IR

Vibrations