Geometry & MOs

Info

ID:	381679
PubChem CID:	134972478
Reduced:	O6C13H22 (1)
Stoich.:	A6B13C22 (1)
Weight, g/mol:	462.254999
ΔH_f, kcal/mol:	-248.2
Dipole, Da:	3.93
IP(EA), eV:	-9.97(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-3-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl]furo[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@H]([C@H]3[C@H](O2)OC(O3)(C)C)OC)C

DOS

IR

Vibrations