Geometry & MOs

Info

ID:

88111

PubChem CID:

49901505

Reduced:

SCl2N2O7H18C26 (1)

Stoich.:

AB2C2D7E18F26 (1)

Weight, g/mol:

560.172956

ΔHf, kcal/mol:

-126.36

Dipole, Da:

3.74

IP(EA), eV:

 -9.31(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[(2,4-dimorpholin-4-yl-5-nitrophenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations