Geometry & MOs

Info

ID:

85091

PubChem CID:

49871695

Reduced:

BrNOF2H4C6 (1)

Stoich.:

ABCD2E4F6 (1)

Weight, g/mol:

808.361636

ΔHf, kcal/mol:

-99.74

Dipole, Da:

2.42

IP(EA), eV:

-10.0(-2.1)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-diazido-3-[(2R,3R,4S,5R,6R)-5-butoxy-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4-diol

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC(F)(F)Br

DOS

IR

Vibrations