Geometry & MOs

Info

ID:	88361
PubChem CID:	49903058
Reduced:	ClNSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	512.9801
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	4.71
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations