Geometry & MOs

Info

ID:

149395

PubChem CID:

53789067

Reduced:

S2C18O23H32 (1)

Stoich.:

A2B18C23D32 (1)

Weight, g/mol:

342.111481

ΔHf, kcal/mol:

-978.67

Dipole, Da:

5.93

IP(EA), eV:

 -10.54(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxyethyl 2-(1,3-dimethoxy-3-oxoprop-1-en-2-yl)oxy-6-fluorobenzoate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@H](C(=O)O[C@H]([C@H](C=O)OS(=O)(=O)OCC(=O)[C@H]([C@@H]([C@H](CO)O)O)O)[C@@H]([C@@H](COS(=O)(=O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations