Geometry & MOs

Info

ID:	137989
PubChem CID:	52296352
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	435.18145
ΔH_f, kcal/mol:	-63.27
Dipole, Da:	4.28
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1H-imidazol-3-ium-3-yl)-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=C(C=CO2)C3=CC=CC=C3)C(=O)NCC4CC4

DOS

IR

Vibrations