Geometry & MOs

Info

ID:

323713

PubChem CID:

126675804

Reduced:

SN4O5C25H26 (1)

Stoich.:

AB4C5D25E26 (1)

Weight, g/mol:

605.149989

ΔHf, kcal/mol:

-91.27

Dipole, Da:

5.19

IP(EA), eV:

 -9.9(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3R,6R)-2-acetyloxy-3-[(2S,5S)-4-acetyloxy-3-azido-6-(hydroxymethyl)-5-methylsulfonyloxyoxan-2-yl]oxy-4,6-diazidocyclohexyl] acetate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1(CC1)C#N)NC(=O)C2=NC3=C(O2)C=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations