Geometry & MOs

Info

ID:	88083
PubChem CID:	49900750
Reduced:	SN2O6H26C31 (1)
Stoich.:	AB2C6D26E31 (1)
Weight, g/mol:	518.89624
ΔH_f, kcal/mol:	-126.39
Dipole, Da:	4.54
IP(EA), eV:	-8.53(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)OC

DOS

IR

Vibrations