Geometry & MOs

Info

ID:

231845

PubChem CID:

87574765

Reduced:

NSO30C47H63 (1)

Stoich.:

ABC30D47E63 (1)

Weight, g/mol:

298.99768

ΔHf, kcal/mol:

-1321.98

Dipole, Da:

7.83

IP(EA), eV:

 -9.1(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2-amino-5-chloropyridin-4-yl)-6-chloro-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OCC(CO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations