Geometry & MOs

Info

ID:

219945

PubChem CID:

85165073

Reduced:

O2C9H15 (4)

Stoich.:

A2B9C15 (4)

Weight, g/mol:

622.099907

ΔHf, kcal/mol:

-343.75

Dipole, Da:

6.2

IP(EA), eV:

 -10.0(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-4-oxo-1,3-diphenyl-2-sulfanylidene-4a,7a-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1C(O1)C(=O)CCCCCC2C(O2)C(=O)CCCCCC3C(O3)C(=O)CCCCCC4CC(OC(O4)(C)C)C

DOS

IR

Vibrations