Geometry & MOs

Info

ID:

88511

PubChem CID:

49903978

Reduced:

ClFSN2O6H18C25 (1)

Stoich.:

ABCD2E6F18G25 (1)

Weight, g/mol:

613.01545

ΔHf, kcal/mol:

-124.16

Dipole, Da:

7.77

IP(EA), eV:

 -8.8(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]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-])OCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations