Geometry & MOs

Info

ID:	328872
PubChem CID:	126728462
Reduced:	BrClON2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	567.191581
ΔH_f, kcal/mol:	11.83
Dipole, Da:	8.83
IP(EA), eV:	-9.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[[4-[[2-[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]phenyl]methylamino]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@]1(CC1Br)C(=O)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations