Geometry & MOs

Info

ID:	298168
PubChem CID:	117647877
Reduced:	O5C9H16 (1)
Stoich.:	A5B9C16 (1)
Weight, g/mol:	514.012382
ΔH_f, kcal/mol:	-244.82
Dipole, Da:	2.73
IP(EA), eV:	-10.02(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[dideuterio-[(2R,3R,4R,5R)-3,4-dihydroxy-4-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(CC(=O)OC)O)C

DOS

IR

Vibrations