Geometry & MOs

Info

ID:	301463
PubChem CID:	123080874
Reduced:	ClSN5H20C23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	475.159745
ΔH_f, kcal/mol:	155.97
Dipole, Da:	5.6
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC=CC=N3)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations