Geometry & MOs

Info

ID:	427036
PubChem CID:	135155157
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	668.203561
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	4.8
IP(EA), eV:	-9.61(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(4-aminopiperidin-1-yl)-1-[5-(4-chlorophenyl)pyridin-2-yl]-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations