Geometry & MOs

Info

ID:	176071
PubChem CID:	75991967
Reduced:	SO2N5H15C19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	21.03
Dipole, Da:	3.76
IP(EA), eV:	-8.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=CC=CC=C23)C4=NC=CC(=N4)C=C5C(=O)NC(=O)S5

DOS

IR

Vibrations