Geometry & MOs

Info

ID:

88494

PubChem CID:

49903859

Reduced:

SN3O8H23C27 (1)

Stoich.:

AB3C8D23E27 (1)

Weight, g/mol:

657.88435

ΔHf, kcal/mol:

-147.4

Dipole, Da:

5.75

IP(EA), eV:

 -8.67(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-[(2-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])OC

DOS

IR

Vibrations