Geometry & MOs

Info

ID:	202974
PubChem CID:	79755431
Reduced:	SF3N3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	301.086053
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	1.03
IP(EA), eV:	-9.9(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CCC(C1=NN=C(S1)C2=C(C(=C(C=C2)F)F)F)N

DOS

IR

Vibrations