Geometry & MOs

Info

ID:	183545
PubChem CID:	77037088
Reduced:	ClSO3N4H9C12 (1)
Stoich.:	ABC3D4E9F12 (1)
Weight, g/mol:	286.07537
ΔH_f, kcal/mol:	52.59
Dipole, Da:	4.24
IP(EA), eV:	-8.93(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)prop-2-enoylamino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=NO)N)[N+](=O)[O-])SC2=NC=C(C=C2)Cl

DOS

IR

Vibrations