Geometry & MOs

Info

ID:	167769
PubChem CID:	74872217
Reduced:	FNSO3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	287.061614
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	3.53
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylphenyl)prop-2-enoylamino]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC(=O)NC2=C(SC=C2)C(=O)O)F

DOS

IR

Vibrations