Geometry & MOs

Info

ID:	158881
PubChem CID:	57244134
Reduced:	ClFN2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	199.006505
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	1.44
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2-carboxyphenyl)methanesulfinate

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CCNC(=O)C2=C(C=C(C=C2)Cl)F)O

DOS

IR

Vibrations