Geometry & MOs

Info

ID:

313874

PubChem CID:

126618325

Reduced:

ClF2N3O7H34C36 (1)

Stoich.:

AB2C3D7E34F36 (1)

Weight, g/mol:

295.03202

ΔHf, kcal/mol:

-292.73

Dipole, Da:

6.35

IP(EA), eV:

 -8.57(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5R)-N-(6-bromo-3-methylpyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC)CC(=O)N5C[C@@H](C[C@H]5C(=O)NC6=CC=CC(=C6F)C7=CC=CC=C7Cl)F

DOS

IR

Vibrations