Geometry & MOs

Info

ID:	301755
PubChem CID:	123094506
Reduced:	SO4N5H17C19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	503.162725
ΔH_f, kcal/mol:	37.49
Dipole, Da:	10.92
IP(EA), eV:	-8.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC(=O)C)SCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations