Geometry & MOs

Info

ID:	150355
PubChem CID:	53790043
Reduced:	N5O12C25H43 (1)
Stoich.:	A5B12C25D43 (1)
Weight, g/mol:	580.01428
ΔH_f, kcal/mol:	-566.54
Dipole, Da:	8.39
IP(EA), eV:	-9.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)CO[C@H]([C@H](C=O)NC(=O)CCC)[C@@H]([C@@H](CO)O)O

DOS

IR

Vibrations