Geometry & MOs

Info

ID:

419170

PubChem CID:

135107671

Reduced:

SO5N9C39H49 (1)

Stoich.:

AB5C9D39E49 (1)

Weight, g/mol:

387.20591

ΔHf, kcal/mol:

-104.52

Dipole, Da:

5.75

IP(EA), eV:

 -9.12(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-6-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1H-pyrimidin-4-one

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=CC(=C4)CN5C=CC=N5)C)C)C(C)C

DOS

IR

Vibrations