Geometry & MOs

Info

ID:	301347
PubChem CID:	123080467
Reduced:	ClS2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	486.185625
ΔH_f, kcal/mol:	105.11
Dipole, Da:	4.03
IP(EA), eV:	-8.94(-1.1)
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-methoxy-4-pentoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=C(C=CS2)C)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations