Geometry & MOs

Info

ID:	298251
PubChem CID:	117648135
Reduced:	BrSO2H13C20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	209.21435
ΔH_f, kcal/mol:	0.19
Dipole, Da:	4.51
IP(EA), eV:	-8.81(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-ditert-butyl-3-azabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=C(C=C(C=C4)Br)C(=O)CO

DOS

IR

Vibrations