Geometry & MOs

Info

ID:	23830
PubChem CID:	606524
Reduced:	SF3O3N4H7C11 (1)
Stoich.:	AB3C3D4E7F11 (1)
Weight, g/mol:	332.019096
ΔH_f, kcal/mol:	-114.7
Dipole, Da:	6.26
IP(EA), eV:	-10.46(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=NN=C(S2)NC(=O)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations