Geometry & MOs

Info

ID:

443206

PubChem CID:

135258101

Reduced:

PN3O9C23H26 (1)

Stoich.:

AB3C9D23E26 (1)

Weight, g/mol:

703.257037

ΔHf, kcal/mol:

-306.8

Dipole, Da:

9.74

IP(EA), eV:

 -9.83(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@H](C=C)NP(=O)(OC[C@@H]1C(=O)[C@]2([C@@H](O1)N3C=CC(=O)N=C3O2)C)OC4=CC=CC=C4

DOS

IR

Vibrations