Geometry & MOs

Info

ID:	60975
PubChem CID:	26703805
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-111.69
Dipole, Da:	3.09
IP(EA), eV:	-9.11(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

DOS

IR

Vibrations