Geometry & MOs

Info

ID:

443242

PubChem CID:

135258259

Reduced:

N5O5C18H27 (1)

Stoich.:

A5B5C18D27 (1)

Weight, g/mol:

933.46299

ΔHf, kcal/mol:

-181.61

Dipole, Da:

4.95

IP(EA), eV:

 -9.61(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-[3-(2-methylazirin-2-yl)propanoyloxy]oxolan-2-yl]methyl 5-oxo-10-[2-[2-[3-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propoxy]ethoxy]ethoxy]decanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations