Geometry & MOs

Info

ID:	171073
PubChem CID:	75323015
Reduced:	BrNSCl2O3H18C25 (1)
Stoich.:	ABCD2E3F18G25 (1)
Weight, g/mol:	526.99575
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	1.25
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-bromo-4-[(4-chlorophenyl)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=C(C=C(C=C4)Cl)Cl)Br)SC2=O

DOS

IR

Vibrations