Geometry & MOs

Info

ID:	31492
PubChem CID:	855785
Reduced:	FON2S2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	334.035831
ΔH_f, kcal/mol:	8.47
Dipole, Da:	2.23
IP(EA), eV:	-8.95(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3

DOS

IR

Vibrations