Geometry & MOs

Info

ID:	301933
PubChem CID:	123101017
Reduced:	S2N3O5C16H23 (1)
Stoich.:	A2B3C5D16E23 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	9.57
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-2-piperidin-1-ylethyl)sulfinyl-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)NC(=O)CS(=O)CC(=O)N2CCCCC2)C

DOS

IR

Vibrations