Geometry & MOs

Info

ID:

436286

PubChem CID:

135197597

Reduced:

ClFSN5O5H25C26 (1)

Stoich.:

ABCD5E5F25G26 (1)

Weight, g/mol:

716.247003

ΔHf, kcal/mol:

-141.11

Dipole, Da:

2.54

IP(EA), eV:

 -8.26(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl (2S)-1-[hydroxy(methoxy)methyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C(C2=NC(=N1)NC)O[C@@H]3CCOC3)C4=CC(=C(N=C4)OC)NS(=O)(=O)C5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations