Geometry & MOs

Info

ID:	20180
PubChem CID:	582349
Reduced:	OSF2N4H10C11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	284.054338
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	6.79
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations