Geometry & MOs

Info

ID:	87483
PubChem CID:	49894920
Reduced:	ClSN2O2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	557.00632
ΔH_f, kcal/mol:	-26.4
Dipole, Da:	6.56
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C)/SC2=O

DOS

IR

Vibrations