Geometry & MOs

Info

ID:	46809
PubChem CID:	10527477
Reduced:	N2O5C25H40 (1)
Stoich.:	A2B5C25D40 (1)
Weight, g/mol:	448.023858
ΔH_f, kcal/mol:	-218.85
Dipole, Da:	6.02
IP(EA), eV:	-8.7(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[(6-chloro-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(CCCC(N1OCC2CN(C3=C2C(=CC=C3)OCOC)C(=O)OC(C)(C)C)(C)C)C

DOS

IR

Vibrations