Geometry & MOs

Info

ID:

382114

PubChem CID:

134973056

Reduced:

N2O4C8H13 (2)

Stoich.:

A2B4C8D13 (2)

Weight, g/mol:

487.07031

ΔHf, kcal/mol:

-295.25

Dipole, Da:

1.91

IP(EA), eV:

 -9.9(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,4R,5S)-5-acetamido-6-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-4-iodo-2-methoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@](OC1[C@@H]([C@H]2COC(O2)(C)C)O)(C(=O)OC)OC)N=[N+]=[N-]

DOS

IR

Vibrations