Geometry & MOs

Info

ID:	120989
PubChem CID:	50752737
Reduced:	FS2O4N5C20H22 (1)
Stoich.:	AB2C4D5E20F22 (1)
Weight, g/mol:	511.11481
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	5.8
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CN(C3=CC=C(C=C3)F)S(=O)(=O)C

DOS

IR

Vibrations