Geometry & MOs

Info

ID:	216614
PubChem CID:	85086502
Reduced:	ClNSO3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	286.283181
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	6.26
IP(EA), eV:	-8.92(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(6,6-dimethyl-2-propyl-3-bicyclo[3.1.1]heptanyl)-9-borabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)CC=CC=CC(=O)NO)Cl

DOS

IR

Vibrations