Geometry & MOs

Info

ID:	88074
PubChem CID:	49900551
Reduced:	BrNSO5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	557.089286
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	3.71
IP(EA), eV:	-9.45(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)O)Br)/SC2=O

DOS

IR

Vibrations