Geometry & MOs

Info

ID:	437673
PubChem CID:	135226838
Reduced:	IOS2N3C23H26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	356.0558
ΔH_f, kcal/mol:	31.03
Dipole, Da:	2.81
IP(EA), eV:	-8.41(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bromo-4-(methylsulfonimidoyl)phenyl]spiro[2.5]octan-6-amine

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)N(C=C2)SI)C3=C(C=CC(=C3)SC)NC4CCC5(CC4)CC5

DOS

IR

Vibrations