Geometry & MOs

Info

ID:

328504

PubChem CID:

126723668

Reduced:

ClPN6O8C26H32 (1)

Stoich.:

ABC6D8E26F32 (1)

Weight, g/mol:

313.057782

ΔHf, kcal/mol:

-308.46

Dipole, Da:

12.32

IP(EA), eV:

 -9.09(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1R,3R,4R,5R)-4-chloro-5,6-dihydroxy-4-methyl-2-oxabicyclo[3.1.0]hexan-3-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC1CCCCC1)NP(=O)(OC2[C@@H]3[C@]2([C@@]([C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)(C)Cl)O)OC6=CC=CC=C6

DOS

IR

Vibrations