Geometry & MOs

Info

ID:

315632

PubChem CID:

126628276

Reduced:

N3O6C17H19 (1)

Stoich.:

A3B6C17D19 (1)

Weight, g/mol:

553.99219

ΔHf, kcal/mol:

-212.1

Dipole, Da:

4.7

IP(EA), eV:

 -9.71(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(5aR,7R,8R,8aS)-3-deuterio-8-hydroxy-3-iodo-8-methyl-3-tritio-5,5a,7,8a-tetrahydrofuro[2,3-f][1,4,2,3]dioxathiaphosphepin-7-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O)O

DOS

IR

Vibrations