Geometry & MOs

Info

ID:	204744
PubChem CID:	80003180
Reduced:	N2O2F3C12H17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	316.072907
ΔH_f, kcal/mol:	-225.23
Dipole, Da:	4.75
IP(EA), eV:	-9.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3-methyl-1,1-dioxothiolan-3-yl)carbamoylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(F)(F)F)C(=O)C1=CC=C(O1)CN

DOS

IR

Vibrations