Geometry & MOs

Info

ID:	17341
PubChem CID:	493474
Reduced:	N2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	406.246772
ΔH_f, kcal/mol:	-217.05
Dipole, Da:	4.9
IP(EA), eV:	-9.18(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-undecylfuro[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations