Geometry & MOs

Info

ID:	87148
PubChem CID:	49892669
Reduced:	BrSCl2N2O4H21C27 (1)
Stoich.:	ABC2D2E4F21G27 (1)
Weight, g/mol:	473.000383
ΔH_f, kcal/mol:	-109.41
Dipole, Da:	3.74
IP(EA), eV:	-8.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations