Geometry & MOs

Info

ID:	434577
PubChem CID:	135175252
Reduced:	BrF2N3O3C20H28 (1)
Stoich.:	AB2C3D3E20F28 (1)
Weight, g/mol:	658.267685
ΔH_f, kcal/mol:	-248.35
Dipole, Da:	5.68
IP(EA), eV:	-9.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-bicyclo[3.2.1]octanyl)-1,1-difluoro-3-oxo-1-(3-phenylphenyl)propan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)N

DOS

IR

Vibrations