Geometry & MOs

Info

ID:

420692

PubChem CID:

135114672

Reduced:

S2O6N7C37H43 (1)

Stoich.:

A2B6C7D37E43 (1)

Weight, g/mol:

313.153875

ΔHf, kcal/mol:

-174.97

Dipole, Da:

9.34

IP(EA), eV:

 -9.13(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

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)C(=O)C4=CSC5=CC=CC=C54)C)C)C(C)C

DOS

IR

Vibrations