Geometry & MOs

Info

ID:

88513

PubChem CID:

49903984

Reduced:

ClSN2O7H17C25 (1)

Stoich.:

ABC2D7E17F25 (1)

Weight, g/mol:

604.03037

ΔHf, kcal/mol:

-113.51

Dipole, Da:

8.97

IP(EA), eV:

 -9.15(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations