Geometry & MOs

Info

ID:	87304
PubChem CID:	49893921
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	511.102035
ΔH_f, kcal/mol:	-55.19
Dipole, Da:	3.84
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)C

DOS

IR

Vibrations