Geometry & MOs

Info

ID:

418280

PubChem CID:

135104048

Reduced:

SO6N8C38H46 (1)

Stoich.:

AB6C8D38E46 (1)

Weight, g/mol:

369.18009

ΔHf, kcal/mol:

-180.42

Dipole, Da:

3.86

IP(EA), eV:

 -8.71(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-1-[2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC3=C(S2)N(N=C3C4=CC=CC=C4)C)C)CC5=CC=CC=C5

DOS

IR

Vibrations