Geometry & MOs

Info

ID:	185667
PubChem CID:	77328303
Reduced:	SO4N5C37H49 (1)
Stoich.:	AB4C5D37E49 (1)
Weight, g/mol:	291.96948
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	5.0
IP(EA), eV:	-8.66(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CC=C1)SCC(C(=O)N2CCN(CC2)C(C3CCCCC3)C4CCCCC4)NC(=O)C5=CC6=CC=CC=C6N5

DOS

IR

Vibrations