Geometry & MOs

Info

ID:	146594
PubChem CID:	53711440
Reduced:	SO3N6H22C24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	363.117883
ΔH_f, kcal/mol:	39.88
Dipole, Da:	3.93
IP(EA), eV:	-8.64(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-(1H-imidazol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCOC1=NC2=C(SC(=C2N1CC3=CC=CC=C3C4=CC=CC=C4C5=NNN=N5)C(=O)O)C

DOS

IR

Vibrations