Geometry & MOs

Info

ID:	127333
PubChem CID:	50998758
Reduced:	NaSF2O2H3C6 (1)
Stoich.:	ABC2D2E3F6 (1)
Weight, g/mol:	151.018877
ΔH_f, kcal/mol:	-184.88
Dipole, Da:	4.8
IP(EA), eV:	-7.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-ethynylaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)S(=O)[O-])F.[Na+]

DOS

IR

Vibrations