Geometry & MOs

Info

ID:	301551
PubChem CID:	123085376
Reduced:	SO2N4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	65.84
Dipole, Da:	7.59
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=N\N2C=NN=C2SCC3=C(C=CC(=C3)C)C)OCC4=CC=CC=C4

DOS

IR

Vibrations