Geometry & MOs

Info

ID:	44742
PubChem CID:	10505689
Reduced:	PN2O6H25C27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	504.153266
ΔH_f, kcal/mol:	-210.87
Dipole, Da:	7.01
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-3-benzoyloxy-5-[5-(3-methoxyprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C[C@@H](C(=O)O)N[C@@H](CCC4=CC=CC5=C4N=CC=C5)P(=O)(O)O

DOS

IR

Vibrations