Geometry & MOs

Info

ID:	54396
PubChem CID:	17137255
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	6.76
IP(EA), eV:	-8.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-ethylsulfanyl-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations