Geometry & MOs

Info

ID:

185897

PubChem CID:

77366388

Reduced:

ClN3O14C26H30 (1)

Stoich.:

AB3C14D26E30 (1)

Weight, g/mol:

645.15728

ΔHf, kcal/mol:

-518.66

Dipole, Da:

6.17

IP(EA), eV:

 -9.62(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4-(chloromethyl)-5-(morpholine-4-carbonylamino)-2-nitrophenoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)O)OC(=O)C)OC(=O)C)(C2=C(C3=C(C=C2)NC(=O)C4N3CC(OC4)(C)Cl)[N+](=O)[O-])OC(=O)C

DOS

IR

Vibrations