Geometry & MOs

Info

ID:	427027
PubChem CID:	135155119
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	723.10371
ΔH_f, kcal/mol:	-88.4
Dipole, Da:	4.71
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(4-aminopiperidin-1-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-propan-2-yloxynaphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N[N+](=O)[O-].C(CCN)CC(C(=O)O)N

DOS

IR

Vibrations