Geometry & MOs

Info

ID:	36635
PubChem CID:	8010169
Reduced:	SF2N2O5H14C17 (1)
Stoich.:	AB2C2D5E14F17 (1)
Weight, g/mol:	281.074659
ΔH_f, kcal/mol:	-209.7
Dipole, Da:	6.43
IP(EA), eV:	-9.32(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations