Geometry & MOs

Info

ID:	301583
PubChem CID:	123086831
Reduced:	BrSO3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	550.10381
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	2.51
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]-1-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1OC)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)Br)CC)OC

DOS

IR

Vibrations