Geometry & MOs

Info

ID:	87988
PubChem CID:	49899410
Reduced:	BrNSCl2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	506.062254
ΔH_f, kcal/mol:	-83.49
Dipole, Da:	2.97
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)Br)OCC4=CC=CC=C4

DOS

IR

Vibrations