Geometry & MOs

Info

ID:	352395
PubChem CID:	127283482
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	391.102434
ΔH_f, kcal/mol:	-75.65
Dipole, Da:	4.25
IP(EA), eV:	-8.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)N3CCCCC3C4=NC=CS4

DOS

IR

Vibrations