Geometry & MOs

Info

ID:	262370
PubChem CID:	103288714
Reduced:	ClSN2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	304.035871
ΔH_f, kcal/mol:	35.93
Dipole, Da:	2.98
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C1=NC=C(C=C1)SCC2=CC=CC=C2Cl)NC

DOS

IR

Vibrations