Geometry & MOs

Info

ID:	163259
PubChem CID:	57665363
Reduced:	S2N4O5C24H28 (1)
Stoich.:	A2B4C5D24E28 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-117.8
Dipole, Da:	7.3
IP(EA), eV:	-9.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-piperidin-1-ylacetyl)oxyacetic acid

Drug info:

PubChemData

Smile

COC1=NC2=C(C=C1)N=C(S2)NC(=O)[C@@H](CC3CCCCC3)N4C=CC(=CC4=O)S(=O)(=O)C5CC5

DOS

IR

Vibrations