Geometry & MOs

Info

ID:	406267
PubChem CID:	135077093
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	510.01353
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	5.43
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-3,4-diacetyloxy-5-(5-iodo-3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC/C(=N\NS(=O)(=O)C1=CC=C(C=C1)C)/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations