Geometry & MOs

Info

ID:	55571
PubChem CID:	17395578
Reduced:	SO2F3N3C14H14 (1)
Stoich.:	AB2C3D3E14F14 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-163.86
Dipole, Da:	6.68
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylpropyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

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CC(C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2C)C(F)(F)F

DOS

IR

Vibrations