Geometry & MOs

Info

ID:

419801

PubChem CID:

135109082

Reduced:

SO5N7C36H47 (1)

Stoich.:

AB5C7D36E47 (1)

Weight, g/mol:

356.155849

ΔHf, kcal/mol:

-150.47

Dipole, Da:

4.77

IP(EA), eV:

 -8.75(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-phenylethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxamide

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)CC4=CC=C(C=C4)C)C)C)C(C)C

DOS

IR

Vibrations