Geometry & MOs

Info

ID:	301496
PubChem CID:	123082797
Reduced:	SCl2O4N5C23H25 (1)
Stoich.:	AB2C4D5E23F25 (1)
Weight, g/mol:	432.094223
ΔH_f, kcal/mol:	13.71
Dipole, Da:	3.12
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,6-dichlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(4-ethylphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)OC)OCCC)[N+](=O)[O-])SCC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations