Geometry & MOs

Info

ID:	86799
PubChem CID:	49889393
Reduced:	BrClNSO5H15C20 (1)
Stoich.:	ABCDE5F15G20 (1)
Weight, g/mol:	490.072961
ΔH_f, kcal/mol:	-142.04
Dipole, Da:	6.04
IP(EA), eV:	-9.48(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations