Geometry & MOs

Info

ID:

420194

PubChem CID:

135111760

Reduced:

SO6N9C37H45 (1)

Stoich.:

AB6C9D37E45 (1)

Weight, g/mol:

360.195011

ΔHf, kcal/mol:

-156.11

Dipole, Da:

14.93

IP(EA), eV:

 -8.23(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC=CC=N5)C

DOS

IR

Vibrations