Geometry & MOs

Info

ID:	124098
PubChem CID:	50872548
Reduced:	ClFN4O5H14C18 (1)
Stoich.:	ABC4D5E14F18 (1)
Weight, g/mol:	423.140533
ΔH_f, kcal/mol:	-148.53
Dipole, Da:	2.05
IP(EA), eV:	-9.37(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-anilino-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=CC(=C(C=C2)OC3=NC(=NC=C3F)Cl)OC)C(=O)N(C1=O)C

DOS

IR

Vibrations