Geometry & MOs

Info

ID:	86572
PubChem CID:	49887214
Reduced:	NSO4H19C25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	400.072907
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	5.78
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations