Geometry & MOs

Info

ID:

307929

PubChem CID:

125310781

Reduced:

NS2O11C20H31 (1)

Stoich.:

AB2C11D20E31 (1)

Weight, g/mol:

525.133853

ΔHf, kcal/mol:

-453.42

Dipole, Da:

5.26

IP(EA), eV:

 -8.43(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(Z)-N-hydroxy-C-[4-[(S)-methylsulfinyl]butyl]carbonimidoyl]sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@H](O1)S/C(=N\O)/CCCC[S@@](=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations