Geometry & MOs

Info

ID:	309796
PubChem CID:	126559138
Reduced:	ClFO3N4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	606.096168
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	3.64
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,4S,5R)-5-(2-amino-6-chloropurin-9-yl)-4-chloro-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=C(N2C(=C1)C(=NC=N2)N)[C@H]3C(C([C@H](O3)CO)O)(F)Cl

DOS

IR

Vibrations