Geometry & MOs

Info

ID:

395718

PubChem CID:

135026328

Reduced:

O3N7C24H31 (1)

Stoich.:

A3B7C24D31 (1)

Weight, g/mol:

708.249328

ΔHf, kcal/mol:

-15.15

Dipole, Da:

5.89

IP(EA), eV:

 -9.49(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

[(2R)-2,3-dihydroxypropyl] [(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-[6-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]hexoxy]cyclohexyl] phosphate

Drug info:

PubChemData

Smile

CNC(=O)CN(CC1=CC=CC=C1)C(=O)CN(CC2=CC=CC=C2)C(=O)CNCCCN=[N+]=[N-]

DOS

IR

Vibrations