Geometry & MOs

Info

ID:	87630
PubChem CID:	49896025
Reduced:	ISN2O4H21C27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	530.06636
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	1.54
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC4=CC=CC=C4C#N)OC)/SC2=O

DOS

IR

Vibrations