Geometry & MOs

Info

ID:	86556
PubChem CID:	49887094
Reduced:	BrClNSO4H17C25 (1)
Stoich.:	ABCDE4F17G25 (1)
Weight, g/mol:	401.085242
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	3.82
IP(EA), eV:	-9.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-butan-2-yloxyphenyl)methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations