Geometry & MOs

Info

ID:

418996

PubChem CID:

135107290

Reduced:

SO7N8C33H44 (1)

Stoich.:

AB7C8D33E44 (1)

Weight, g/mol:

391.156577

ΔHf, kcal/mol:

-263.47

Dipole, Da:

5.98

IP(EA), eV:

 -9.17(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(2-oxo-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylethyl)-3-propylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)[C@@H]4CCC(=O)N4)C)C)C(C)C

DOS

IR

Vibrations