Geometry & MOs

Info

ID:	434602
PubChem CID:	135175298
Reduced:	BrF2N3O3C19H26 (1)
Stoich.:	AB2C3D3E19F26 (1)
Weight, g/mol:	645.223962
ΔH_f, kcal/mol:	-244.63
Dipole, Da:	3.7
IP(EA), eV:	-9.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-aminopiperidin-1-yl)-1-[3-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC(=CC=C2)Br)(F)F)N

DOS

IR

Vibrations