Geometry & MOs

Info

ID:	343251
PubChem CID:	127266424
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	328.118985
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	8.96
IP(EA), eV:	-9.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2S(=O)(=O)C3=CC=CC=C3)C4=NC5=C(C=CC=C5N4)C(=O)O

DOS

IR

Vibrations