Geometry & MOs

Info

ID:	301357
PubChem CID:	123080520
Reduced:	OSCl2N4C21H22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	462.104788
ΔH_f, kcal/mol:	57.35
Dipole, Da:	8.57
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations