Geometry & MOs

Info

ID:	206993
PubChem CID:	80329813
Reduced:	NSCl2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	285.002656
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	4.9
IP(EA), eV:	-8.95(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-4-fluoroanilino)methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)NCC2=CC(=CS2)C(=O)O

DOS

IR

Vibrations