Geometry & MOs

Info

ID:	143697
PubChem CID:	53250185
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	514.215095
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	4.71
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[6-[methyl(2-phenylethyl)amino]-2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)C2=CC=CC(=N2)/C=C\3/C(=O)NC(=O)S3

DOS

IR

Vibrations