Geometry & MOs

Info

ID:	27838
PubChem CID:	823829
Reduced:	OSCl2N2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	262.047738
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	3.75
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations