Geometry & MOs

Info

ID:	215819
PubChem CID:	85085296
Reduced:	S2N3C4H7 (1)
Stoich.:	A2B3C4D7 (1)
Weight, g/mol:	160.017187
ΔH_f, kcal/mol:	42.32
Dipole, Da:	3.85
IP(EA), eV:	-9.22(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-5-oxo-2H-furan-2-yl)acetic acid

Drug info:

PubChemData

Smile

C1CN(C(=S)NC1=S)N

DOS

IR

Vibrations