Geometry & MOs

Info

ID:	305675
PubChem CID:	124964805
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-187.5
Dipole, Da:	6.27
IP(EA), eV:	-8.18(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]methyl]pyrazin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CO[C@H]1CCN(C[C@@]12CCCO2)CC(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations