Geometry & MOs

Info

ID:	434728
PubChem CID:	135175590
Reduced:	NO8C14H29 (1)
Stoich.:	AB8C14D29 (1)
Weight, g/mol:	689.17345
ΔH_f, kcal/mol:	-341.64
Dipole, Da:	2.89
IP(EA), eV:	-10.1(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(6-bromonaphthalen-2-yl)-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

C(COCCOCCOCCOCCOCCOCC(=O)N)O

DOS

IR

Vibrations