Geometry & MOs

Info

ID:	301743
PubChem CID:	123094245
Reduced:	SO4N5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	48.82
Dipole, Da:	8.11
IP(EA), eV:	-8.94(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-ethylphenyl)-N-[3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations