Geometry & MOs

Info

ID:	73819
PubChem CID:	48420541
Reduced:	SO2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	76.95
Dipole, Da:	3.54
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-[(E)-methoxyiminomethyl]benzoate

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)SCC(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations