Geometry & MOs

Info

ID:	285570
PubChem CID:	104113756
Reduced:	SN2O5C10H16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-181.22
Dipole, Da:	2.67
IP(EA), eV:	-9.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=COC(=N1)NCCCS(=O)(=O)C

DOS

IR

Vibrations