Geometry & MOs

Info

ID:	344347
PubChem CID:	127267523
Reduced:	O2F3N4C13H13 (1)
Stoich.:	A2B3C4D13E13 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-165.93
Dipole, Da:	3.7
IP(EA), eV:	-9.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(oxolan-3-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-phenylsulfanylbutanamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)NCC2=NN=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations