Geometry & MOs

Info

ID:

88483

PubChem CID:

49903720

Reduced:

SN3O7H17C24 (1)

Stoich.:

AB3C7D17E24 (1)

Weight, g/mol:

504.135508

ΔHf, kcal/mol:

-54.85

Dipole, Da:

3.92

IP(EA), eV:

 -9.51(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)[N+](=O)[O-])O)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations