Geometry & MOs

Info

ID:	132595
PubChem CID:	51384351
Reduced:	SO2N4C25H37 (1)
Stoich.:	AB2C4D25E37 (1)
Weight, g/mol:	333.15628
ΔH_f, kcal/mol:	-56.89
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.863732
Charge, e:	1

Chem-info

IUPAC name:

2-[[(E)-[1-(2-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

COC1CCCC(C1)N2C(=O)C3C(C4CCCCC4CC35CCCCC5)N6C2=NN=C6[S-]

DOS

IR

Vibrations