Geometry & MOs

Info

ID:	31462
PubChem CID:	855750
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	5.79
IP(EA), eV:	-8.82(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-3-ethylsulfanyl-5-(4-methoxyphenyl)-1,2,4-triazole

Drug info:

PubChemData

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CC[C@H](C)NC(=O)CSC1=C(C=C2C=C(C=CC2=N1)OC)C#N

DOS

IR

Vibrations