Geometry & MOs

Info

ID:	319964
PubChem CID:	126657697
Reduced:	ClIN3O7H27C33 (1)
Stoich.:	ABC3D7E27F33 (1)
Weight, g/mol:	234.140199
ΔH_f, kcal/mol:	-144.84
Dipole, Da:	3.55
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylbutan-2-yl)piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]([C@H](N1C=C(C2=C1N=CN=C2Cl)I)OC(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations