Geometry & MOs

Info

ID:

88301

PubChem CID:

49902852

Reduced:

BrSN2O5H21C27 (1)

Stoich.:

ABC2D5E21F27 (1)

Weight, g/mol:

560.98125

ΔHf, kcal/mol:

-120.99

Dipole, Da:

2.52

IP(EA), eV:

 -8.65(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations