Geometry & MOs

Info

ID:	31661
PubChem CID:	855991
Reduced:	ClSN2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	326.083747
ΔH_f, kcal/mol:	8.11
Dipole, Da:	3.49
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC2=NN=C(O2)C3=CC=C(C=C3)O)Cl

DOS

IR

Vibrations