Geometry & MOs

Info

ID:	135660
PubChem CID:	51911832
Reduced:	Cl3N3O3H16C19 (1)
Stoich.:	A3B3C3D16E19 (1)
Weight, g/mol:	407.176644
ΔH_f, kcal/mol:	-102.84
Dipole, Da:	1.73
IP(EA), eV:	-9.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexylmethyl (2S)-1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NCC2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations