Geometry & MOs

Info

ID:	229966
PubChem CID:	87569712
Reduced:	BrSH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	62.37
Dipole, Da:	2.2
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)Br)S)S)Br

DOS

IR

Vibrations