Geometry & MOs

Info

ID:	194351
PubChem CID:	78521312
Reduced:	SN2O3C16H26 (1)
Stoich.:	AB2C3D16E26 (1)
Weight, g/mol:	430.216438
ΔH_f, kcal/mol:	-151.59
Dipole, Da:	4.92
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CN1C(=O)CSC1=CC(=O)C(C)(C)C

DOS

IR

Vibrations