Geometry & MOs

Info

ID:	292088
PubChem CID:	114449506
Reduced:	SF3N4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	342.99657
ΔH_f, kcal/mol:	-82.72
Dipole, Da:	8.35
IP(EA), eV:	-9.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-bromoethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1CN)C2=NN=C(S2)C(F)(F)F

DOS

IR

Vibrations