Geometry & MOs

Info

ID:	31734
PubChem CID:	3288073
Reduced:	SO2N3F6C27H27 (1)
Stoich.:	AB2C3D6E27F27 (1)
Weight, g/mol:	187.02743
ΔH_f, kcal/mol:	-316.29
Dipole, Da:	9.01
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-1-ethyl-5-nitropyridin-1-ium

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations