Geometry & MOs

Info

ID:	301555
PubChem CID:	123085525
Reduced:	SN5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	390.047273
ΔH_f, kcal/mol:	116.88
Dipole, Da:	6.81
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(2,6-dichlorophenyl)-N-[3-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations