Geometry & MOs

Info

ID:	299548
PubChem CID:	117687473
Reduced:	NSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	414.218843
ΔH_f, kcal/mol:	-156.3
Dipole, Da:	4.61
IP(EA), eV:	-9.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(5-acetylpyrrolidin-3-yl)oxymethyl]-1-adamantyl]amino]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCC[C@@]1(CSC(=O)N1)C(=O)OCC

DOS

IR

Vibrations