Geometry & MOs

Info

ID:	411730
PubChem CID:	135084564
Reduced:	Rh2S4N8O12C47H62 (1)
Stoich.:	A2B4C8D12E47F62 (1)
Weight, g/mol:	254.072513
ΔH_f, kcal/mol:	-482.99
Dipole, Da:	27.45
IP(EA), eV:	-9.78(-4.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-2-oxopiperidin-3-yl]benzenesulfonamide

Drug info:

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCNC2=O.CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCNC2=O.CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCNC2=O.C1C[C@@H](C(=O)NC1)NS(=O)(=O)C2=CC=CC=C2.[Rh].[Rh]

DOS

IR

Vibrations