Geometry & MOs

Info

ID:

175140

PubChem CID:

75860197

Reduced:

ClSN3O6H15C17 (1)

Stoich.:

ABC3D6E15F17 (1)

Weight, g/mol:

371.17461

ΔHf, kcal/mol:

-139.16

Dipole, Da:

2.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762486

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(4-methylphenyl)hydrazinylidene]isoindol-1-yl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=NNC(=O)C2COC3=CC=CC=C3O2)[O-]

DOS

IR

Vibrations