Geometry & MOs

Info

ID:

181922

PubChem CID:

76814495

Reduced:

S2F3N5O5H24C25 (1)

Stoich.:

A2B3C5D5E24F25 (1)

Weight, g/mol:

657.036652

ΔHf, kcal/mol:

-258.13

Dipole, Da:

3.96

IP(EA), eV:

 -8.98(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[2-[5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]-1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)C=C4C(=O)N(C(=O)S4)C5CCN(CC5)S(=O)(=O)N)C=N2)C(F)(F)F

DOS

IR

Vibrations