Geometry & MOs

Info

ID:	86766
PubChem CID:	49889105
Reduced:	BrNSO3H18C24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	416.155849
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	4.98
IP(EA), eV:	-9.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC4=CC=C(C=C4)Br)/SC2=O

DOS

IR

Vibrations