Geometry & MOs

Info

ID:

423505

PubChem CID:

135119625

Reduced:

SO6N7C34H45 (1)

Stoich.:

AB6C7D34E45 (1)

Weight, g/mol:

356.099477

ΔHf, kcal/mol:

-197.03

Dipole, Da:

5.64

IP(EA), eV:

 -9.09(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-5-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzonitrile

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(O4)C)C)C)C(C)C

DOS

IR

Vibrations