Geometry & MOs

Info

ID:	301616
PubChem CID:	123088201
Reduced:	SO2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	428.203468
ΔH_f, kcal/mol:	52.08
Dipole, Da:	7.92
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-(naphthalen-1-ylmethylsulfanyl)-5-propyl-1,2,4-triazol-4-yl]-1-(4-propan-2-ylphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC(=O)C)SCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations