Geometry & MOs

Info

ID:	301512
PubChem CID:	123083944
Reduced:	SCl4N4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	436.11246
ΔH_f, kcal/mol:	88.36
Dipole, Da:	6.4
IP(EA), eV:	-8.93(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=C(C=CC(=C2Cl)Cl)Cl)SCC3=CC=CC=C3Cl

DOS

IR

Vibrations