Geometry & MOs

Info

ID:	31298
PubChem CID:	855542
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	13.73
Dipole, Da:	9.13
IP(EA), eV:	-9.01(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-5-(4-nitrophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1C[C@H]2CCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations