Geometry & MOs

Info

ID:	17490
PubChem CID:	501161
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	272.061949
ΔH_f, kcal/mol:	44.28
Dipole, Da:	7.66
IP(EA), eV:	-8.92(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinylacetonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C#N)S(=O)C2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations