Geometry & MOs

Info

ID:	301457
PubChem CID:	123080856
Reduced:	SCl3N4H19C24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	438.073967
ΔH_f, kcal/mol:	129.86
Dipole, Da:	4.61
IP(EA), eV:	-8.92(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-(2-phenylethyl)-1,2,4-triazol-4-yl]-1-thiophen-2-ylmethanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=C(C(=CC=C3)Cl)Cl)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations