Geometry & MOs

Info

ID:	301402
PubChem CID:	123080695
Reduced:	OSCl3N4C23H25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	459.113188
ΔH_f, kcal/mol:	39.65
Dipole, Da:	6.11
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-methoxy-3-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)Cl)OCCC)Cl)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations