Geometry & MOs

Info

ID:	88340
PubChem CID:	49902984
Reduced:	SN3O3H19C27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	607.03143
ΔH_f, kcal/mol:	40.76
Dipole, Da:	7.88
IP(EA), eV:	-8.82(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations