Geometry & MOs

Info

ID:	124046
PubChem CID:	50870932
Reduced:	ClNS2O5H16C20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	451.071214
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	1.81
IP(EA), eV:	-9.15(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations