Geometry & MOs

Info

ID:	434750
PubChem CID:	135175630
Reduced:	NO3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	689.17345
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	2.7
IP(EA), eV:	-9.26(0.54)
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-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclohexyloxy-N-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)COCCOCCNC

DOS

IR

Vibrations