Geometry & MOs

Info

ID:	356170
PubChem CID:	127291206
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	356.224597
ΔH_f, kcal/mol:	-75.33
Dipole, Da:	5.77
IP(EA), eV:	-8.93(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylbutanoyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CSCC1C(=O)NC2CCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations