Geometry & MOs

Info

ID:

88517

PubChem CID:

49904003

Reduced:

SCl2N2O7H18C26 (1)

Stoich.:

AB2C2D7E18F26 (1)

Weight, g/mol:

485.008449

ΔHf, kcal/mol:

-127.97

Dipole, Da:

2.29

IP(EA), eV:

 -9.19(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-[(2-nitrophenyl)methyl]-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=CC=C3[N+](=O)[O-])Cl)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations