Geometry & MOs

Info

ID:	231711
PubChem CID:	87574492
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-29.14
Dipole, Da:	2.72
IP(EA), eV:	-8.42(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-2-methyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methylidene]propane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(=O)SOC1=CC=CC(=C1)C2=CC=CC=C2N

DOS

IR

Vibrations