Geometry & MOs

Info

ID:	313823
PubChem CID:	126618115
Reduced:	BrFN2O5C9H10 (1)
Stoich.:	ABC2D5E9F10 (1)
Weight, g/mol:	609.02786
ΔH_f, kcal/mol:	-243.46
Dipole, Da:	4.56
IP(EA), eV:	-10.25(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@]([C@@H]([C@H](O2)CO)O)(F)Br

DOS

IR

Vibrations