Geometry & MOs

Info

ID:	315624
PubChem CID:	126628255
Reduced:	BrN2O4C12H17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	292.046214
ΔH_f, kcal/mol:	-170.86
Dipole, Da:	6.78
IP(EA), eV:	-9.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C([C@@H](O1)N2C=C(C(=O)NC2=O)Br)OC)C

DOS

IR

Vibrations