Geometry & MOs

Info

ID:

415868

PubChem CID:

135088870

Reduced:

O7N9C43H57 (1)

Stoich.:

A7B9C43D57 (1)

Weight, g/mol:

288.183778

ΔHf, kcal/mol:

-249.43

Dipole, Da:

11.86

IP(EA), eV:

 -8.44(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-ethylphenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C2)CC3=CNC4=CC=CC=C43)CC(C)C)CC5=CC=C(C=C5)OC)C)C(C)C

DOS

IR

Vibrations