Geometry & MOs

Info

ID:

310093

PubChem CID:

126574225

Reduced:

N3O4C36H45 (1)

Stoich.:

A3B4C36D45 (1)

Weight, g/mol:

466.18311

ΔHf, kcal/mol:

-149.27

Dipole, Da:

5.78

IP(EA), eV:

 -8.42(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[5-bromo-4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)N2CC[C@H]3CCCC[C@H]3C2)C4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations