Geometry & MOs

Info

ID:	180206
PubChem CID:	76596273
Reduced:	MnCl2N5O8C22H41 (1)
Stoich.:	AB2C5D8E22F41 (1)
Weight, g/mol:	503.295513
ΔH_f, kcal/mol:	-395.25
Dipole, Da:	4.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.034391
Charge, e:	0

Chem-info

IUPAC name:

[8,11,14-tris(acetyloxymethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1CNCCNC(CNC(CNC(CN1)COC(=O)C)COC(=O)C)COC(=O)C.Cl[Mn]Cl

DOS

IR

Vibrations