Geometry & MOs

Info

ID:

59156

PubChem CID:

24771312

Reduced:

PC5H9O10 (1)

Stoich.:

AB5C9D10 (1)

Weight, g/mol:

783.303947

ΔHf, kcal/mol:

-502.78

Dipole, Da:

2.44

IP(EA), eV:

 -11.6(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-2,3-dihydroxybutanedioic acid;1-N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

C(C(COP(=O)(O)O)OC(=O)O)OC(=O)O

DOS

IR

Vibrations