Geometry & MOs

Info

ID:	284284
PubChem CID:	104040005
Reduced:	SN2O5C13H22 (1)
Stoich.:	AB2C5D13E22 (1)
Weight, g/mol:	300.150764
ΔH_f, kcal/mol:	-228.58
Dipole, Da:	8.4
IP(EA), eV:	-9.72(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylthiomorpholin-4-yl)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1CC(=O)N2CCC(CC2)C(=O)O

DOS

IR

Vibrations