Geometry & MOs

Info

ID:	87399
PubChem CID:	49894485
Reduced:	SN3O6H27C29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	433.114793
ΔH_f, kcal/mol:	-163.15
Dipole, Da:	6.13
IP(EA), eV:	-8.6(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC)C

DOS

IR

Vibrations