Geometry & MOs

Info

ID:

11340

PubChem CID:

114183

Reduced:

NO9C25H35 (1)

Stoich.:

AB9C25D35 (1)

Weight, g/mol:

493.231182

ΔHf, kcal/mol:

-336.12

Dipole, Da:

4.76

IP(EA), eV:

 -8.77(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-2,3-dihydroxybutanedioic acid;ethyl 3-[(1R,9S,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN1CC[C@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations