Geometry & MOs

Info

ID:	124052
PubChem CID:	50871153
Reduced:	ClFNS2O4H13C19 (1)
Stoich.:	ABCD2E4F13G19 (1)
Weight, g/mol:	488.982705
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	7.18
IP(EA), eV:	-9.14(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O

DOS

IR

Vibrations