Geometry & MOs

Info

ID:	226660
PubChem CID:	87550984
Reduced:	ClFON2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	329.130181
ΔH_f, kcal/mol:	-29.49
Dipole, Da:	5.59
IP(EA), eV:	-10.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(3-sulfopropyl)azanium;hydrochloride

Drug info:

PubChemData

Smile

C=CCC1=NN(C(=C1C(=O)F)Cl)CC=C

DOS

IR

Vibrations