Geometry & MOs

Info

ID:

416773

PubChem CID:

135090336

Reduced:

N7O9C44H57 (1)

Stoich.:

A7B9C44D57 (1)

Weight, g/mol:

321.149557

ΔHf, kcal/mol:

-318.46

Dipole, Da:

7.47

IP(EA), eV:

 -8.26(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=C(O5)COC)C(C)C

DOS

IR

Vibrations