Geometry & MOs

Info

ID:	356397
PubChem CID:	127291470
Reduced:	S2O3N4C17H26 (1)
Stoich.:	A2B3C4D17E26 (1)
Weight, g/mol:	396.165369
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	5.92
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylbutanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations