Geometry & MOs

Info

ID:	301571
PubChem CID:	123086420
Reduced:	SO2N4C29H32 (1)
Stoich.:	AB2C4D29E32 (1)
Weight, g/mol:	544.15076
ΔH_f, kcal/mol:	50.28
Dipole, Da:	6.02
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-methoxy-4-nonoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=C(C=CC(=C3)C)C)CC4=CC=CC=C4)OCC

DOS

IR

Vibrations