Geometry & MOs

Info

ID:	86583
PubChem CID:	49887383
Reduced:	SCl2N2O2H18C23 (1)
Stoich.:	AB2C2D2E18F23 (1)
Weight, g/mol:	490.95937
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	6.53
IP(EA), eV:	-8.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations