Geometry & MOs

Info

ID:

191106

PubChem CID:

78105472

Reduced:

N5O9C25H37 (1)

Stoich.:

A5B9C25D37 (1)

Weight, g/mol:

787.12682

ΔHf, kcal/mol:

-278.87

Dipole, Da:

4.76

IP(EA), eV:

 -8.91(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-[2-amino-5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-4-oxo-4aH-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OCC2=CN(C3C2C(=O)NC(N3)N)C4CC(C(O4)CO)O

DOS

IR

Vibrations