Geometry & MOs

Info

ID:	263171
PubChem CID:	103343174
Reduced:	NSO5C13H21 (1)
Stoich.:	ABC5D13E21 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-224.08
Dipole, Da:	4.03
IP(EA), eV:	-9.23(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1CCCC1S(=O)(=O)N2CC3CCC(C2)O3

DOS

IR

Vibrations