Geometry & MOs

Info

ID:	320186
PubChem CID:	126658598
Reduced:	PN2O9C24H43 (1)
Stoich.:	AB2C9D24E43 (1)
Weight, g/mol:	436.161068
ΔH_f, kcal/mol:	-491.47
Dipole, Da:	2.77
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid

Drug info:

PubChemData

Smile

C1CCCCCCC23CC(CCCCC1)(C=CN2C4C(C(C(O4)COP(=O)(O)O)O)O)C(NC3O)O

DOS

IR

Vibrations