Geometry & MOs

Info

ID:	86649
PubChem CID:	49888238
Reduced:	ClNS2O6H22C26 (1)
Stoich.:	ABC2D6E22F26 (1)
Weight, g/mol:	483.070735
ΔH_f, kcal/mol:	-167.05
Dipole, Da:	5.3
IP(EA), eV:	-8.87(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations