Geometry & MOs

Info

ID:

52699

PubChem CID:

12015713

Reduced:

NO4C17H23 (1)

Stoich.:

AB4C17D23 (1)

Weight, g/mol:

789.98073

ΔHf, kcal/mol:

-119.19

Dipole, Da:

4.86

IP(EA), eV:

 -8.42(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2S,3R,4S,5R,6S)-4-acetyloxy-6-carbamoyl-5-hydroxy-2-(iodomethyl)oxan-3-yl]oxy-5-[(2,2,2-trichloroacetyl)amino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@@H]2C3=CC(=C(C=C3CCN2OC1=O)OC)OC

DOS

IR

Vibrations