Geometry & MOs

Info

ID:	144019
PubChem CID:	53301337
Reduced:	SO4N8C18H32 (1)
Stoich.:	AB4C8D18E32 (1)
Weight, g/mol:	512.216552
ΔH_f, kcal/mol:	-63.03
Dipole, Da:	7.0
IP(EA), eV:	-9.06(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[4-[[1-(4-methoxy-4-oxobutyl)triazol-4-yl]methyl-methylamino]-1,1-dioxo-1,2-thiazolidin-2-yl]methyl]triazol-1-yl]butanoate

Drug info:

PubChemData

Smile

CN(CC1=CN(N=N1)CCCOC)C2CN(S(=O)(=O)C2)CC3=CN(N=N3)CCCOC

DOS

IR

Vibrations