Geometry & MOs

Info

ID:	20064
PubChem CID:	578037
Reduced:	ClNO4H10C14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	291.029835
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	0.85
IP(EA), eV:	-9.5(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[3-(furan-2-yl)prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

DOS

IR

Vibrations