Geometry & MOs

Info

ID:	396347
PubChem CID:	135028123
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	334.00679
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	3.77
IP(EA), eV:	-9.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,3R)-7-hydroxy-1-(hydroxymethyl)-2-oxa-5-selenabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\CCC=C2

DOS

IR

Vibrations