Geometry & MOs

Info

ID:	87168
PubChem CID:	49892825
Reduced:	BrNSCl2O4H16C25 (1)
Stoich.:	ABCD2E4F16G25 (1)
Weight, g/mol:	456.046604
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	6.51
IP(EA), eV:	-9.38(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]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=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations