Geometry & MOs

Info

ID:

422083

PubChem CID:

135117156

Reduced:

FO6N7C35H46 (1)

Stoich.:

AB6C7D35E46 (1)

Weight, g/mol:

332.130697

ΔHf, kcal/mol:

-263.06

Dipole, Da:

11.71

IP(EA), eV:

 -9.22(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=C(N4C=C(C=CC4=N3)C)F)C(C)C

DOS

IR

Vibrations