Geometry & MOs

Info

ID:	434699
PubChem CID:	135175519
Reduced:	NO2S2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	703.18573
ΔH_f, kcal/mol:	33.68
Dipole, Da:	3.44
IP(EA), eV:	-9.06(-0.95)
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]-2-(6-cyclopentyloxynaphthalen-2-yl)-2-oxoacetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C#CC#CCOCC(=O)C)NSS

DOS

IR

Vibrations