Geometry & MOs

Info

ID:

87964

PubChem CID:

49899097

Reduced:

SN4O6H30C33 (1)

Stoich.:

AB4C6D30E33 (1)

Weight, g/mol:

503.075821

ΔHf, kcal/mol:

-78.23

Dipole, Da:

14.09

IP(EA), eV:

 -8.68(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations