Geometry & MOs

Info

ID:

321910

PubChem CID:

126667272

Reduced:

BrO5C17N19H20 (1)

Stoich.:

AB5C17D19E20 (1)

Weight, g/mol:

471.08658

ΔHf, kcal/mol:

259.59

Dipole, Da:

1.95

IP(EA), eV:

 -9.38(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1,3-diazido-2-methylpropan-2-yl) 2-(4-bromo-5-hydroxy-2-oxopyridin-1-yl)-4-propan-2-yloxybutanoate

Drug info:

PubChemData

Smile

C1=C(C(=CN(C1=O)C(CCOC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-])C(=O)OC(CN=[N+]=[N-])(CN=[N+]=[N-])CN=[N+]=[N-])O)Br

DOS

IR

Vibrations