Geometry & MOs

Info

ID:	301742
PubChem CID:	123094098
Reduced:	SN4O4C29H30 (1)
Stoich.:	AB4C4D29E30 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-16.05
Dipole, Da:	4.0
IP(EA), eV:	-8.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations