Geometry & MOs

Info

ID:

128730

PubChem CID:

51055838

Reduced:

SN2O8C28H30 (1)

Stoich.:

AB2C8D28E30 (1)

Weight, g/mol:

298.116486

ΔHf, kcal/mol:

-264.79

Dipole, Da:

8.61

IP(EA), eV:

 -9.75(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxy-1-imidazol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations