Geometry & MOs

Info

ID:	380835
PubChem CID:	134971404
Reduced:	N2F3O5H7C12 (1)
Stoich.:	A2B3C5D7E12 (1)
Weight, g/mol:	513.090305
ΔH_f, kcal/mol:	-187.27
Dipole, Da:	7.19
IP(EA), eV:	-10.89(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-3-benzoyloxy-5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations