Geometry & MOs

Info

ID:

414929

PubChem CID:

135087909

Reduced:

FSO6N7C36H44 (1)

Stoich.:

ABC6D7E36F44 (1)

Weight, g/mol:

419.268511

ΔHf, kcal/mol:

-249.38

Dipole, Da:

6.29

IP(EA), eV:

 -9.24(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-ethylpiperazin-1-yl)-1-(2-phenylspiro[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)C(=O)C4=CC(=CC(=C4)C)F)C)C)C(C)C

DOS

IR

Vibrations