Geometry & MOs

Info

ID:	87477
PubChem CID:	49894861
Reduced:	SN2O3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	480.05071
ΔH_f, kcal/mol:	-77.96
Dipole, Da:	5.02
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)NC(=O)C)/SC2=O

DOS

IR

Vibrations