Geometry & MOs

Info

ID:	129138
PubChem CID:	51071116
Reduced:	ClFN3O3C22H29 (1)
Stoich.:	ABC3D3E22F29 (1)
Weight, g/mol:	559.227156
ΔH_f, kcal/mol:	-203.92
Dipole, Da:	7.58
IP(EA), eV:	-9.47(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]cyclohexyl]-1-butanoylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)NC(=O)C2CCN(CC2)C(=O)CCCl)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations