Geometry & MOs

Info

ID:	171072
PubChem CID:	75323014
Reduced:	BrClNSO3H19C25 (1)
Stoich.:	ABCDE3F19G25 (1)
Weight, g/mol:	560.95678
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	3.36
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4Cl)Br)SC2=O

DOS

IR

Vibrations