Geometry & MOs

Info

ID:	87923
PubChem CID:	49898651
Reduced:	SN2Cl4O4H16C25 (1)
Stoich.:	AB2C4D4E16F25 (1)
Weight, g/mol:	557.089286
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	4.35
IP(EA), eV:	-9.34(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)COC2=C(C=C(C=C2)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations