Geometry & MOs

Info

ID:	395235
PubChem CID:	135024987
Reduced:	ON3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	584.29492
ΔH_f, kcal/mol:	32.94
Dipole, Da:	6.42
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CC[C@H]([C@@H](C4)O)NCC5=CC=CC=C5

DOS

IR

Vibrations