Geometry & MOs

Info

ID:	398784
PubChem CID:	135035400
Reduced:	N2S2F3O8H21C22 (1)
Stoich.:	A2B2C3D8E21F22 (1)
Weight, g/mol:	133.053251
ΔH_f, kcal/mol:	-423.2
Dipole, Da:	0.63
IP(EA), eV:	-9.03(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(Z)-3-amino-2-chloroprop-2-enylidene]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3CC4(CN3C5=C(C2=O)C(=CC=C5)OS(=O)(=O)C(F)(F)F)OCCO4

DOS

IR

Vibrations