Geometry & MOs

Info

ID:	356185
PubChem CID:	127291221
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	7.11
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(N2CC1)C=CC(=C3)NC(=O)C4CSCN4C(=O)C5CCC5

DOS

IR

Vibrations