Geometry & MOs

Info

ID:	434659
PubChem CID:	135175435
Reduced:	F2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	591.177012
ΔH_f, kcal/mol:	-263.19
Dipole, Da:	1.89
IP(EA), eV:	-9.22(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-chlorophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-propan-2-yloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCOC(=O)C(C(C1=CC=C(C=C1)OC)(F)F)O

DOS

IR

Vibrations