Geometry & MOs

Info

ID:

17286

PubChem CID:

491707

Reduced:

N9O11C33H37 (1)

Stoich.:

A9B11C33D37 (1)

Weight, g/mol:

735.261253

ΔHf, kcal/mol:

-317.71

Dipole, Da:

12.89

IP(EA), eV:

 -8.67(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)O[C@H]3CCOC3)C4=CN=CO4.C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N

DOS

IR

Vibrations