Geometry & MOs

Info

ID:

308072

PubChem CID:

125316840

Reduced:

ClSN3O3C20H20 (1)

Stoich.:

ABC3D3E20F20 (1)

Weight, g/mol:

460.211055

ΔHf, kcal/mol:

-72.77

Dipole, Da:

5.68

IP(EA), eV:

 -9.76(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1R,3S,3aS,6aS)-6',7'-dimethyl-2',4,6-trioxo-5-(2-phenylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=NC2=O)C)S[C@@H]1C(=O)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations