Geometry & MOs

Info

ID:	60974
PubChem CID:	26703793
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-35.36
Dipole, Da:	10.4
IP(EA), eV:	-9.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations