Geometry & MOs

Info

ID:	227872
PubChem CID:	87562794
Reduced:	BrNSO3C7H8 (1)
Stoich.:	ABCD3E7F8 (1)
Weight, g/mol:	252.085855
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	7.52
IP(EA), eV:	-9.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-isocyanooxolan-2-yl]amino]-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)OC1=CN=C(C=C1)Br

DOS

IR

Vibrations