Geometry & MOs

Info

ID:

88473

PubChem CID:

49903680

Reduced:

ISN2O7H19C26 (1)

Stoich.:

ABC2D7E19F26 (1)

Weight, g/mol:

619.99143

ΔHf, kcal/mol:

-97.47

Dipole, Da:

8.66

IP(EA), eV:

 -9.32(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])OC

DOS

IR

Vibrations