Geometry & MOs

Info

ID:	313486
PubChem CID:	126614975
Reduced:	NO4H25C29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	433.109627
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	4.5
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=CC=C3)C)C=C(C(=O)OC4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations