Geometry & MOs

Info

ID:

447631

PubChem CID:

135284340

Reduced:

S2F3O3N6C21H23 (1)

Stoich.:

A2B3C3D6E21F23 (1)

Weight, g/mol:

454.22162

ΔHf, kcal/mol:

-172.44

Dipole, Da:

3.45

IP(EA), eV:

 -9.41(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzyl-4-tert-butyl-5-methyl-1-(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazolidine-3,4-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC=N1)[C@H]2C[C@H](CCN2[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5)C(F)(F)F

DOS

IR

Vibrations