Geometry & MOs

Info

ID:	405170
PubChem CID:	135072904
Reduced:	N2O2F3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	385.90166
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	4.44
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=CC=C2)C(F)(F)F)CNC(=O)C3=CC=CC=N3

DOS

IR

Vibrations