Geometry & MOs

Info

ID:	357258
PubChem CID:	127293811
Reduced:	SO2N4C16H30 (1)
Stoich.:	AB2C4D16E30 (1)
Weight, g/mol:	356.188212
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	1.86
IP(EA), eV:	-8.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC(C)N2CCN(CC2)CC

DOS

IR

Vibrations