Geometry & MOs

Info

ID:	435355
PubChem CID:	135191277
Reduced:	ON8C15H16 (1)
Stoich.:	AB8C15D16 (1)
Weight, g/mol:	404.259646
ΔH_f, kcal/mol:	91.86
Dipole, Da:	6.36
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-ethylhexyl) 2-methoxysulfanylbutanedioate

Drug info:

PubChemData

Smile

CC1=NCC(C=C1)CN2C3=NC(=NC(=C3NC2=O)N)N4C=CC=N4

DOS

IR

Vibrations