Geometry & MOs

Info

ID:	208789
PubChem CID:	80586357
Reduced:	N2S2O5C11H14 (1)
Stoich.:	A2B2C5D11E14 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	3.89
IP(EA), eV:	-8.91(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(thiolan-2-ylmethylcarbamoylamino)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(SC1)CNS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations