Geometry & MOs

Info

ID:	171146
PubChem CID:	75335735
Reduced:	ClNSF2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	449.086385
ΔH_f, kcal/mol:	-165.04
Dipole, Da:	1.5
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-fluorophenyl)methyl]-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations