Geometry & MOs

Info

ID:

340573

PubChem CID:

127262584

Reduced:

ClSN3O7C16H20 (1)

Stoich.:

ABC3D7E16F20 (1)

Weight, g/mol:

934.261146

ΔHf, kcal/mol:

-244.26

Dipole, Da:

1.99

IP(EA), eV:

 -9.02(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[(E)-octadec-1-enyl]-2,5-dioxopyrrolidine-1-carbonyl]naphthalen-1-yl] 4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C(=N2)O[C@@H]3C[C@H](NC3)C(=O)OC)Cl.CS(=O)(=O)O

DOS

IR

Vibrations