Geometry & MOs

Info

ID:	88412
PubChem CID:	49903354
Reduced:	BrNSO5H18C25 (1)
Stoich.:	ABCD5E18F25 (1)
Weight, g/mol:	530.97068
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	5.02
IP(EA), eV:	-9.14(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations