Geometry & MOs

Info

ID:	301456
PubChem CID:	123080847
Reduced:	ClSO2N4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	500.039601
ΔH_f, kcal/mol:	62.22
Dipole, Da:	7.19
IP(EA), eV:	-8.83(-1.44)
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-(2,3-dichlorophenyl)methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC=CC=C3C(=O)O)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations