Geometry & MOs

Info

ID:	54397
PubChem CID:	17137279
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	412.139154
ΔH_f, kcal/mol:	60.03
Dipole, Da:	5.03
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC

DOS

IR

Vibrations