Geometry & MOs

Info

ID:	442064
PubChem CID:	135248940
Reduced:	NC8H15 (1)
Stoich.:	AB8C15 (1)
Weight, g/mol:	620.091097
ΔH_f, kcal/mol:	4.8
Dipole, Da:	1.93
IP(EA), eV:	-8.7(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[[(4S)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-[(methyldisulfanyl)methoxymethyl]propanedioate

Drug info:

PubChemData

Smile

C1CCNCC/C=C\C1

DOS

IR

Vibrations