Geometry & MOs

Info

ID:	301717
PubChem CID:	123092671
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	550.144154
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	4.66
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)OC(C)C)SCC3=CC(=CC=C3)C(=O)OC

DOS

IR

Vibrations