Geometry & MOs

Info

ID:	31243
PubChem CID:	855327
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	346.055818
ΔH_f, kcal/mol:	24.92
Dipole, Da:	5.05
IP(EA), eV:	-8.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations