Geometry & MOs

Info

ID:

191261

PubChem CID:

78123943

Reduced:

N3O4C37H39 (1)

Stoich.:

A3B4C37D39 (1)

Weight, g/mol:

498.086161

ΔHf, kcal/mol:

-98.27

Dipole, Da:

10.45

IP(EA), eV:

 -8.49(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(2,6-dichloropurin-7-yl)methyl]-4'-ethenyl-4'-methyl-1-phenylspiro[2-oxabicyclo[3.2.0]heptane-3,3'-oxolane]-2',4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)NC3(CCCC3)C(=O)NC4=CC=C(C=C4)C=CC(=O)O)C(=C1C5=CC=CC=C5)C6CCCCC6

DOS

IR

Vibrations