Geometry & MOs

Info

ID:	33948
PubChem CID:	7888944
Reduced:	SF3O3N5H12C16 (1)
Stoich.:	AB3C3D5E12F16 (1)
Weight, g/mol:	344.110711
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	9.7
IP(EA), eV:	-9.16(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations