Geometry & MOs

Info

ID:	88112
PubChem CID:	49901506
Reduced:	SN4O6H28C29 (1)
Stoich.:	AB4C6D28E29 (1)
Weight, g/mol:	405.103479
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	5.77
IP(EA), eV:	-9.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=C(C=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-])N6CCOCC6

DOS

IR

Vibrations