Geometry & MOs

Info

ID:	301564
PubChem CID:	123085892
Reduced:	BrSO2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	480.255898
ΔH_f, kcal/mol:	37.67
Dipole, Da:	2.57
IP(EA), eV:	-8.85(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-butoxy-3-ethoxyphenyl)-N-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1N/C=C/2\C=C(C(=O)C(=C2)Br)OCC)SCC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations