Geometry & MOs

Info

ID:

232904

PubChem CID:

87577547

Reduced:

O9C14H22 (2)

Stoich.:

A9B14C22 (2)

Weight, g/mol:

648.050285

ΔHf, kcal/mol:

-792.38

Dipole, Da:

13.58

IP(EA), eV:

 -10.1(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3,6-dichloropyridine-2-carboxylic acid;2-[2-chloro-4-methylsulfonyl-3-(oxolan-2-ylmethoxymethyl)benzoyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)COC(=O)C(=C(C(CO)O)C(CO)O)C(C(CCC(=O)O)(C(CO)O)O)O.CC(=C)C(=O)O.CC(=C)C(=O)O

DOS

IR

Vibrations