Geometry & MOs

Info

ID:	378200
PubChem CID:	134224276
Reduced:	FIN2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	588.179672
ΔH_f, kcal/mol:	35.04
Dipole, Da:	4.22
IP(EA), eV:	-8.56(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-methyl-3-oxopentan-2-yl] (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)F)C(=CN2N)I

DOS

IR

Vibrations