Geometry & MOs

Info

ID:	427091
PubChem CID:	135155442
Reduced:	ClN2O2C21H27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	635.1265
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	4.85
IP(EA), eV:	-8.46(-0.58)
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-propan-2-yloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3)C(=N2)Cl)OCCCN4CCCCC4

DOS

IR

Vibrations