Geometry & MOs

Info

ID:	87049
PubChem CID:	49891169
Reduced:	ClNSO5H14C19 (1)
Stoich.:	ABCD5E14F19 (1)
Weight, g/mol:	432.99834
ΔH_f, kcal/mol:	-144.11
Dipole, Da:	6.63
IP(EA), eV:	-9.26(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=O)NC(=O)S3)OC

DOS

IR

Vibrations