Geometry & MOs

Info

ID:	191768
PubChem CID:	78186689
Reduced:	N5O8C44H59 (1)
Stoich.:	A5B8C44D59 (1)
Weight, g/mol:	349.171165
ΔH_f, kcal/mol:	-358.56
Dipole, Da:	4.32
IP(EA), eV:	-8.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3,5-dimethylphenyl)sulfanyl-5-ethyl-6-methyl-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)N)OC(=O)C1CCN(CC1)C(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC(C)C

DOS

IR

Vibrations