Geometry & MOs

Info

ID:	437709
PubChem CID:	135226874
Reduced:	BrOSN2F3C16H20 (1)
Stoich.:	ABCD2E3F16G20 (1)
Weight, g/mol:	351.06563
ΔH_f, kcal/mol:	-158.3
Dipole, Da:	5.65
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1C(F)(F)F)NC2=C(C=C(C=C2)S(=N)(=O)C3CC3)Br

DOS

IR

Vibrations