Geometry & MOs

Info

ID:

185402

PubChem CID:

77296515

Reduced:

O11C50H56 (1)

Stoich.:

A11B50C56 (1)

Weight, g/mol:

398.03387

ΔHf, kcal/mol:

-340.68

Dipole, Da:

0.34

IP(EA), eV:

 -8.69(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-hydroxy-5-(hydroxymethyl)-4-iodooxolan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C=CCOC1C(C(C(C(O1)CO)O)(C2C(C(C(C(O2)C(CC3=CC=CC=C3)O)(CC4=CC=CC=C4)O)(CC5=CC=CC=C5)O)(CC6=CC=CC=C6)O)O)(CC7=CC=CC=C7)O

DOS

IR

Vibrations