Geometry & MOs

Info

ID:

214933

PubChem CID:

85083872

Reduced:

I2N3O5H13C21 (1)

Stoich.:

A2B3C5D13E21 (1)

Weight, g/mol:

643.094901

ΔHf, kcal/mol:

-26.53

Dipole, Da:

6.85

IP(EA), eV:

 -9.63(-2.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-[6-hydroxy-2-[[4-[hydroxy(nitroso)amino]piperazin-1-yl]methyl]-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=O)C=CC1=C2C3=C(N=C2C(=O)C4=CC=C(C=C4)O)N(C(=O)N(C3=O)CI)CI

DOS

IR

Vibrations