Geometry & MOs

Info

ID:

87726

PubChem CID:

49896832

Reduced:

BrSN2F3O5H16C25 (1)

Stoich.:

ABC2D3E5F16G25 (1)

Weight, g/mol:

612.02273

ΔHf, kcal/mol:

-192.57

Dipole, Da:

6.93

IP(EA), eV:

 -9.43(-1.92)

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-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])Br)/SC2=O

DOS

IR

Vibrations