Geometry & MOs

Info

ID:

88510

PubChem CID:

49903970

Reduced:

SN2O5H20C25 (1)

Stoich.:

AB2C5D20E25 (1)

Weight, g/mol:

528.055813

ΔHf, kcal/mol:

-41.8

Dipole, Da:

8.47

IP(EA), eV:

 -9.14(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations