Geometry & MOs

Info

ID:

297834

PubChem CID:

117633320

Reduced:

NF2S2O5C8H13 (1)

Stoich.:

AB2C2D5E8F13 (1)

Weight, g/mol:

669.325113

ΔHf, kcal/mol:

-306.93

Dipole, Da:

5.8

IP(EA), eV:

 -8.73(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[[[(2R,3R,4R,5R)-5-[(6Z)-5-amino-6-prop-2-enylidene-1,2,4-triazin-1-yl]-5-cyano-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[[(2S)-1-(2,2-dimethylpropanoyloxy)propan-2-yl]amino]phosphoryl]amino]propyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CSCCN1CC(=O)OCC(F)(F)S(=O)(=O)O

DOS

IR

Vibrations