Geometry & MOs

Info

ID:

323739

PubChem CID:

126675950

Reduced:

SF2N3O4H29C30 (1)

Stoich.:

AB2C3D4E29F30 (1)

Weight, g/mol:

632.165023

ΔHf, kcal/mol:

-146.94

Dipole, Da:

8.95

IP(EA), eV:

 -8.57(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[[[(2R,3R,4S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propyl] (2S)-2-(methoxycarbonylamino)-3-methylbutanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)C#N)SC6CC6

DOS

IR

Vibrations