Geometry & MOs

Info

ID:

88459

PubChem CID:

49903614

Reduced:

BrSN3O7H16C24 (1)

Stoich.:

ABC3D7E16F24 (1)

Weight, g/mol:

508.068885

ΔHf, kcal/mol:

-32.1

Dipole, Da:

8.23

IP(EA), eV:

 -9.5(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-methoxy-4-(3-nitropyridin-2-yl)oxyphenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations