Geometry & MOs

Info

ID:	301490
PubChem CID:	123081872
Reduced:	SCl2O4N5C22H23 (1)
Stoich.:	AB2C4D5E22F23 (1)
Weight, g/mol:	560.120438
ΔH_f, kcal/mol:	12.1
Dipole, Da:	8.19
IP(EA), eV:	-9.15(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(2-phenylethyl)-1,2,4-triazol-4-yl]-1-(2-ethoxynaphthalen-1-yl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC(=C(C=C2OC)OC)[N+](=O)[O-])SCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations