Geometry & MOs

Info

ID:	87442
PubChem CID:	49894655
Reduced:	BrNSO4H26C29 (1)
Stoich.:	ABCD4E26F29 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	3.84
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OCC4=CC=C(C=C4)Br)CC=C)/SC2=O

DOS

IR

Vibrations