Geometry & MOs

Info

ID:	434695
PubChem CID:	135175494
Reduced:	ClOF2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	689.01931
ΔH_f, kcal/mol:	-114.87
Dipole, Da:	4.84
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-5-bromo-6-propan-2-yloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CN[C@@H](C(=O)N1CCC(CC1)N)C(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(F)F

DOS

IR

Vibrations