Geometry & MOs

Info

ID:	437705
PubChem CID:	135226870
Reduced:	BrFOSC8H8 (1)
Stoich.:	ABCDE8F8 (1)
Weight, g/mol:	382.07145
ΔH_f, kcal/mol:	-49.99
Dipole, Da:	5.04
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations