Geometry & MOs

Info

ID:	86605
PubChem CID:	49887561
Reduced:	BrClNSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	390.00772
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	6.98
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations