Geometry & MOs

Info

ID:

419485

PubChem CID:

135108268

Reduced:

ClN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

328.135782

ΔHf, kcal/mol:

-222.99

Dipole, Da:

7.81

IP(EA), eV:

 -9.41(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CNC(=O)C(=C4)Cl

DOS

IR

Vibrations