Geometry & MOs

Info

ID:	324020
PubChem CID:	126676774
Reduced:	BrON2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	613.00278
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	3.73
IP(EA), eV:	-9.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=N1)Br)C(=O)NCC

DOS

IR

Vibrations