Geometry & MOs

Info

ID:	44721
PubChem CID:	10505546
Reduced:	F2O3N6C25H30 (1)
Stoich.:	A2B3C6D25E30 (1)
Weight, g/mol:	500.214277
ΔH_f, kcal/mol:	-140.4
Dipole, Da:	11.37
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(naphthalen-2-ylmethoxy)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)NC(=NC(C)C(C)(C)C)NC#N)OC(F)F)C#N

DOS

IR

Vibrations