Geometry & MOs

Info

ID:	60978
PubChem CID:	26703819
Reduced:	SO4N5C24H27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	471.981811
ΔH_f, kcal/mol:	-50.3
Dipole, Da:	12.42
IP(EA), eV:	-9.16(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,5-trichlorophenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations