Geometry & MOs

Info

ID:	174668
PubChem CID:	75804955
Reduced:	SO3N5C24H30 (1)
Stoich.:	AB3C5D24E30 (1)
Weight, g/mol:	434.203959
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	8.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770047
Charge, e:	-1

Chem-info

IUPAC name:

4-[[6-[(3,4-dimethoxybenzoyl)amino]hexanoylhydrazinylidene]methyl]-6-oxo-1,3-diazinan-2-olate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1CC3(C4[NH+]2CCCC4)C(=NN(C3=O)C5CCS(=O)(=O)C5)C)C6=CC=CC=C6

DOS

IR

Vibrations