Geometry & MOs

Info

ID:

422803

PubChem CID:

135118440

Reduced:

SO5N9C36H51 (1)

Stoich.:

AB5C9D36E51 (1)

Weight, g/mol:

349.215413

ΔHf, kcal/mol:

-164.43

Dipole, Da:

5.16

IP(EA), eV:

 -9.34(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone

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(=NN4)C(C)(C)C)C)C)C(C)C

DOS

IR

Vibrations