Geometry & MOs

Info

ID:	381840
PubChem CID:	134972685
Reduced:	SO2H26C29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	494.15366
ΔH_f, kcal/mol:	-3.74
Dipole, Da:	3.37
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-ethynyl-2,6-dioxopyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(C2=CC=CC=C2)C(=O)OC)SC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations