Geometry & MOs

Info

ID:

45044

PubChem CID:

10507458

Reduced:

Cl2N3O6H23C29 (1)

Stoich.:

A2B3C6D23E29 (1)

Weight, g/mol:

580.021484

ΔHf, kcal/mol:

-127.32

Dipole, Da:

4.22

IP(EA), eV:

 -9.0(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-1-[(2R,4S,5R)-4-[(2-nitrophenyl)disulfanyl]-5-[[(2-nitrophenyl)disulfanyl]methyl]oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2C(=O)[C@@H]([C@H](N2[C@H]1C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations