Geometry & MOs

Info

ID:	356438
PubChem CID:	127291511
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	1.81
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)C3=NC=CC(=N3)OCC

DOS

IR

Vibrations