Geometry & MOs

Info

ID:	86658
PubChem CID:	49888304
Reduced:	ClNSO5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	547.017862
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	2.37
IP(EA), eV:	-9.04(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations