Geometry & MOs

Info

ID:	87934
PubChem CID:	49898747
Reduced:	BrNSO3H16C25 (1)
Stoich.:	ABCD3E16F25 (1)
Weight, g/mol:	455.093977
ΔH_f, kcal/mol:	-7.13
Dipole, Da:	1.66
IP(EA), eV:	-8.96(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC=C(O4)C5=CC(=CC=C5)Br)/SC3=O

DOS

IR

Vibrations