Geometry & MOs

Info

ID:	392978
PubChem CID:	135018759
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	301.091
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	6.18
IP(EA), eV:	-9.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-2-[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetate

Drug info:

PubChemData

Smile

CC#CCN(C/C=C/C(=O)OCC=C)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations