Geometry & MOs

Info

ID:	151001
PubChem CID:	53790698
Reduced:	S2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	2.91
IP(EA), eV:	-8.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-3-methyl-7-nitroso-3,9-diazabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1C[C@@H](SC1)CSC(=O)C

DOS

IR

Vibrations