Geometry & MOs

Info

ID:	323716
PubChem CID:	126675810
Reduced:	NSO2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	527.172438
ΔH_f, kcal/mol:	-115.33
Dipole, Da:	5.36
IP(EA), eV:	-9.42(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)C)NC(=O)C1=NC2=C(S1)C=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations