Geometry & MOs

Info

ID:	351600
PubChem CID:	127280492
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-39.33
Dipole, Da:	5.35
IP(EA), eV:	-9.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations