Geometry & MOs

Info

ID:	381907
PubChem CID:	134972769
Reduced:	IN2O9C15H17 (1)
Stoich.:	AB2C9D15E17 (1)
Weight, g/mol:	596.05031
ΔH_f, kcal/mol:	-374.16
Dipole, Da:	6.39
IP(EA), eV:	-9.74(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-iodo-2,6-dioxopyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1C(C([C@@H](O1)N2C=C(C(=O)NC2=O)I)OC(=O)C)OC(=O)C

DOS

IR

Vibrations