Geometry & MOs

Info

ID:	301355
PubChem CID:	123080508
Reduced:	SCl2O2N4C24H28 (1)
Stoich.:	AB2C2D4E24F28 (1)
Weight, g/mol:	510.104788
ΔH_f, kcal/mol:	5.04
Dipole, Da:	4.57
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-chloro-4-phenylmethoxyphenyl)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)Cl)OC(C)C)OCC)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations