Geometry & MOs

Info

ID:

48725

PubChem CID:

11528268

Reduced:

PO19N23C45H88 (1)

Stoich.:

AB19C23D45E88 (1)

Weight, g/mol:

1287.05555

ΔHf, kcal/mol:

-909.61

Dipole, Da:

10.7

IP(EA), eV:

 -9.0(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

sodium;(4-cyano-2,6-diiodophenyl) octanoate;1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea;methyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

C(CCN)C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations