Geometry & MOs

Info

ID:	301559
PubChem CID:	123085614
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	415.086974
ΔH_f, kcal/mol:	20.59
Dipole, Da:	6.83
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-chloro-3-nitrophenyl)-N-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=CC=C1C(=O)/C=N\N2C(=NN=C2SCC3=C(C=CC(=C3)C)C)C

DOS

IR

Vibrations