Geometry & MOs

Info

ID:

87787

PubChem CID:

49897349

Reduced:

BrSN3O7C27H28 (1)

Stoich.:

ABC3D7E27F28 (1)

Weight, g/mol:

620.9817

ΔHf, kcal/mol:

-220.97

Dipole, Da:

4.7

IP(EA), eV:

 -9.16(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-bromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)Br)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)OC

DOS

IR

Vibrations