Geometry & MOs

Info

ID:	173254
PubChem CID:	75611641
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	426.088557
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	7.29
IP(EA), eV:	-9.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NN=CC2=CN=CC=C2

DOS

IR

Vibrations