Geometry & MOs

Info

ID:	401337
PubChem CID:	135050986
Reduced:	NOF3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	193.01975
ΔH_f, kcal/mol:	-103.49
Dipole, Da:	4.93
IP(EA), eV:	-9.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-N-sulfidobenzonitrilium

Drug info:

PubChemData

Smile

C#CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C(F)(F)F

DOS

IR

Vibrations