Geometry & MOs

Info

ID:	36249
PubChem CID:	7982469
Reduced:	ClSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	392.051003
ΔH_f, kcal/mol:	5.37
Dipole, Da:	8.05
IP(EA), eV:	-8.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations