Geometry & MOs

Info

ID:

168422

PubChem CID:

74965676

Reduced:

PF3N5O13C27H37 (1)

Stoich.:

AB3C5D13E27F37 (1)

Weight, g/mol:

626.160079

ΔHf, kcal/mol:

-751.22

Dipole, Da:

5.17

IP(EA), eV:

 -9.46(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)O)O)OC3=CC=C(C=C3)CC(C(=O)OC)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations