Geometry & MOs

Info

ID:	227814
PubChem CID:	87562561
Reduced:	NO3C19H37 (1)
Stoich.:	AB3C19D37 (1)
Weight, g/mol:	252.085855
ΔH_f, kcal/mol:	-199.17
Dipole, Da:	5.72
IP(EA), eV:	-10.09(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-isocyanooxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@@H](C(C)NC(=O)O)O

DOS

IR

Vibrations