Geometry & MOs

Info

ID:	124033
PubChem CID:	50870320
Reduced:	ClNSO4H10C12 (1)
Stoich.:	ABCD4E10F12 (1)
Weight, g/mol:	455.021677
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	3.07
IP(EA), eV:	-8.76(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)S2)Cl)OC

DOS

IR

Vibrations