Geometry & MOs

Info

ID:	328865
PubChem CID:	126728412
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	472.204531
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	5.52
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[[4-[(3-pyridin-2-ylphenyl)methylamino]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CCC1CN)NC2=NC=CC(=N2)/C=C\3/C(NC(=O)S3)O

DOS

IR

Vibrations