Geometry & MOs

Info

ID:

229406

PubChem CID:

87567565

Reduced:

N7O8C52H69 (1)

Stoich.:

A7B8C52D69 (1)

Weight, g/mol:

958.506315

ΔHf, kcal/mol:

-307.0

Dipole, Da:

5.45

IP(EA), eV:

 -8.51(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluorooxolan-2-yl]methyl] 4-O-[2-hydroxy-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-3-octadecanoyloxypropyl] butanedioate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N)[C@@H](C(=O)N1[C@H](CC[C@H]1C2=CC=C(C=C2)CN(CC3=CC=C(C=C3)[C@@H]4CC[C@@H](N4C(=O)[C@H](C(C)(C)CC(=O)N)N(C)C(=O)O)CC=C)C5=CC=CC=C5)CC=C)N(C)C(=O)O

DOS

IR

Vibrations