Geometry & MOs

Info

ID:	86553
PubChem CID:	49887065
Reduced:	ClSN2O5H15C22 (1)
Stoich.:	ABC2D5E15F22 (1)
Weight, g/mol:	626.8496
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	5.54
IP(EA), eV:	-9.41(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl)[N+](=O)[O-]

DOS

IR

Vibrations