Geometry & MOs

Info

ID:	424474
PubChem CID:	135122825
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	554.17118
ΔH_f, kcal/mol:	-96.47
Dipole, Da:	3.65
IP(EA), eV:	-9.41(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(E)-[(E)-3-[2-[N-methyl-4-(trifluoromethoxy)anilino]pyrimidin-5-yl]prop-2-enylidene]hydrazinylidene]-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCC=O

DOS

IR

Vibrations