Geometry & MOs

Info

ID:	24085
PubChem CID:	607792
Reduced:	SN2O4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	258.067428
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	3.05
IP(EA), eV:	-9.76(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCCCC1=C(N=C(NC1=O)SCC(=O)O)O

DOS

IR

Vibrations