Geometry & MOs

Info

ID:	344958
PubChem CID:	127268718
Reduced:	BrN2O2S2C15H15 (1)
Stoich.:	AB2C2D2E15F15 (1)
Weight, g/mol:	257.14495
ΔH_f, kcal/mol:	-5.08
Dipole, Da:	6.05
IP(EA), eV:	-9.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylsulfonyl)-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CC2CC1CN2S(=O)(=O)C3=CSC(=N3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations