Geometry & MOs

Info

ID:

419199

PubChem CID:

135107728

Reduced:

SO5N8C38H46 (1)

Stoich.:

AB5C8D38E46 (1)

Weight, g/mol:

351.20591

ΔHf, kcal/mol:

-120.54

Dipole, Da:

6.78

IP(EA), eV:

 -9.09(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(6-methylpyridin-2-yl)methanone

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=CC5=C(C=C4)N=CC=C5)C)C)C(C)C

DOS

IR

Vibrations