Geometry & MOs

Info

ID:	427024
PubChem CID:	135155112
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	627.1578
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	4.96
IP(EA), eV:	-9.39(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-4-hexoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C1=CN=C(C=C1)OC2CCN(CC2)C(=O)O)N

DOS

IR

Vibrations