Geometry & MOs

Info

ID:

81950

PubChem CID:

49855392

Reduced:

BN2O6C30H47 (1)

Stoich.:

AB2C6D30E47 (1)

Weight, g/mol:

509.17329

ΔHf, kcal/mol:

-362.03

Dipole, Da:

7.35

IP(EA), eV:

 -8.99(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R,5S)-6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)CC(C4=CC(=CC=C4)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations