Geometry & MOs

Info

ID:	26780
PubChem CID:	798309
Reduced:	SO2N4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	326.083747
ΔH_f, kcal/mol:	101.12
Dipole, Da:	7.38
IP(EA), eV:	-9.03(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations