Geometry & MOs

Info

ID:	301460
PubChem CID:	123080867
Reduced:	ClSN5H28C29 (1)
Stoich.:	ABC5D28E29 (1)
Weight, g/mol:	477.102624
ΔH_f, kcal/mol:	138.17
Dipole, Da:	5.33
IP(EA), eV:	-8.57(-0.66)
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-(3-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CCN1C(=C(C2=CC=CC=C21)/C=N\N3C(=NN=C3SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5)C

DOS

IR

Vibrations