Geometry & MOs

Info

ID:

422031

PubChem CID:

135117037

Reduced:

SO6N10C38H50 (1)

Stoich.:

AB6C10D38E50 (1)

Weight, g/mol:

342.151433

ΔHf, kcal/mol:

-179.12

Dipole, Da:

4.28

IP(EA), eV:

 -8.61(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

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)CCC5=CC=NN5C)C

DOS

IR

Vibrations