Geometry & MOs

Info

ID:	355610
PubChem CID:	127289368
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	5.59
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4C)NC1=O

DOS

IR

Vibrations