Geometry & MOs

Info

ID:	167768
PubChem CID:	74872216
Reduced:	BrNSO3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	291.036543
ΔH_f, kcal/mol:	-59.89
Dipole, Da:	2.79
IP(EA), eV:	-9.11(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-fluorophenyl)prop-2-enoylamino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)NC2=C(SC=C2)C(=O)O)Br

DOS

IR

Vibrations