Geometry & MOs

Info

ID:	306369
PubChem CID:	125011448
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	4.18
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=CC(=C2)C(=O)N3CCOC[C@@H](C3)CC4=CC5=C(C=C4)C=CN=C5

DOS

IR

Vibrations