Geometry & MOs

Info

ID:	378172
PubChem CID:	134224248
Reduced:	PO3N5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	563.128051
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	4.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883442
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S)-2-[[[(2S,3R,5S)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)O[P+](=O)OC3=CC=CC=C3

DOS

IR

Vibrations