Geometry & MOs

Info

ID:	86814
PubChem CID:	49889503
Reduced:	FSN2O2H17C21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	561.98842
ΔH_f, kcal/mol:	-58.93
Dipole, Da:	7.11
IP(EA), eV:	-8.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations