Geometry & MOs

Info

ID:	301724
PubChem CID:	123093161
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	552.277027
ΔH_f, kcal/mol:	-11.51
Dipole, Da:	5.99
IP(EA), eV:	-8.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations