Geometry & MOs

Info

ID:	160316
PubChem CID:	57309663
Reduced:	O7C10H22 (1)
Stoich.:	A7B10C22 (1)
Weight, g/mol:	425.1223
ΔH_f, kcal/mol:	-338.24
Dipole, Da:	3.56
IP(EA), eV:	-10.28(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-ynyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC(C(CO)O)OC(C(CO)O)OCC

DOS

IR

Vibrations