Geometry & MOs

Info

ID:	301336
PubChem CID:	123080394
Reduced:	ClOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	398.133196
ΔH_f, kcal/mol:	66.62
Dipole, Da:	5.62
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]-1-(4-propan-2-ylphenyl)methanimine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CC

DOS

IR

Vibrations