Geometry & MOs

Info

ID:	17491
PubChem CID:	501227
Reduced:	ClNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	279.048463
ΔH_f, kcal/mol:	23.87
Dipole, Da:	2.9
IP(EA), eV:	-8.7(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[(2,5-dimethylphenyl)methylsulfanyl]-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=[N+]2[O-])Cl

DOS

IR

Vibrations